Chem
J-GLOBAL ID：200907081751632088   Nikkaji number：J2.099.150J

5-[4-[4-(2,2-Diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-ylmethylene]-3′,3′′-diethyl-4,4′,4′′-trioxo-2′′-thioxo-Δ2,5′:2′,5′′-terthiazolidine-3-acetic acid

5-[4-[4-(2,2-ジフェニルエテニル)フェニル]-1,2,3,3a,4,8b-ヘキサヒドロシクロペンタ[b]インドール-7-イルメチレン]-3′,3′′-ジエチル-4,4′,4′′-トリオキソ-2′′-チオキソ-Δ2,5′:2′,5′′-テルチアゾリジン-3-酢酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C47H40N4O5S4
Molecular formula furigana： C47-H40-N4-O5-S4
Molecular weight： 869.100
InChI： InChI=1S/C47H40N4O5S4/c1-3-48-43(55)40(59-45(48)41-44(56)49(4-2)47(57)60-41)46-50(27-39(52)53)42(54)38(58-46)26-29-20-23-37-35(25-29)33-16-11-17-36(33)51(37)32-21-18-28(19-22-32)24-34(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-15,18-26,33,36H,3-4,11,16-17,27H2,1-2H3,(H,52,53)/b38-26?,45-41?,46-40-
InChI key： OOMINCYJJOQNNI-CABJWBCRSA-N
SMILES： CCN1C(=S)SC(=c2s/c(=c/3\sc(=Cc4ccc5N(C6CCCC6c5c4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c(=O)n3CC(=O)O)/c(=O)n2CC)C1=O
Systematic name  (5)：
  • 2′-(2-チオキソ-3-エチル-4-オキソチアゾリジン-5-イリデン)-3′-エチル-4,4′-ジオキソ-5-[4-[4-(2,2-ジフェニルエテニル)フェニル]-1,2,3,3a,4,8b-ヘキサヒドロシクロペンタ[b]インドール-7-イルメチレン]-Δ2,5′-ビチアゾリジン-3-酢酸
  • 5-[[4-[4-(2,2-ジフェニルエテニル)フェニル]-1,2,3,3a,4,8b-ヘキサヒドロシクロペンタ[b]インドール-7-イル]メチレン]-3′,3′′-ジエチル-2′′-チオキソ-4,4′,4′′-トリオキソ-Δ2,5′:2′,5′′-テルチアゾリジン-3-酢酸
  • 5-[4-[4-(2,2-ジフェニルエテニル)フェニル]-1,2,3,3a,4,8b-ヘキサヒドロシクロペンタ[b]インドール-7-イルメチレン]-3′,3′′-ジエチル-4,4′,4′′-トリオキソ-2′′-チオキソ-Δ2,5′:2′,5′′-テルチアゾリジン-3-酢酸
  • 2-[5-({4-[4-(2,2-ジフェニルエテニル)フェニル]-1H,2H,3H,3aH,4H,8bH-シクロペンタ[b]インドール-7-イル}メチリデン)-2-[(5Z)-3-エチル-2-(3-エチル-4-オキソ-2-スルファニリデン-1,3-チアゾリジン-5-イリデン)-4-オキソ-1,3-チアゾリジン-5-イリデン]-4-オキソ-1,3-チアゾリジン-3-イル]酢酸
  • 2-[5-({4-[4-(2,2-diphenylethenyl)phenyl]-1H,2H,3H,3aH,4H,8bH-cyclopenta[b]indol-7-yl}methylidene)-2-[(5Z)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-5-ylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Other name (3)：
  • 2′-(2-Thioxo-3-ethyl-4-oxothiazolidine-5-ylidene)-3′-ethyl-4,4′-dioxo-5-[4-[4-(2,2-diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-ylmethylene]-Δ2,5′-bithiazolidine-3-acetic acid
  • 5-[[4-[4-(2,2-Diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-yl]methylene]-3′,3′′-diethyl-2′′-thioxo-4,4′,4′′-trioxo-Δ2,5′:2′,5′′-terthiazolidine-3-acetic acid
  • 5-[4-[4-(2,2-Diphenylethenyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole-7-ylmethylene]-3′,3′′-diethyl-4,4′,4′′-trioxo-2′′-thioxo-Δ2,5′:2′,5′′-terthiazolidine-3-acetic acid
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