Chem
J-GLOBAL ID:200907003707844484   Nikkaji number:J2.696.810K

5-[5′′-[1,2,3,3a,4,8b-Hexahydro-4-[4-(2,2-diphenylethenyl)phenyl]cyclopenta[b]indole-7-yl]-5,2′:5′,2′′-terthiophene-2-ylmethylene]-3′-(3,5-di-tert-butylbenzyl)-4,4′-dioxo-2′-thioxo-Δ2,5′-bithiazolidine-3-acetic acid

5-[5′′-[1,2,3,3a,4,8b-ヘキサヒドロ-4-[4-(2,2-ジフェニルエテニル)フェニル]シクロペンタ[b]インドール-7-イル]-5,2′:5′,2′′-テルチオフェン-2-イルメチレン]-3′-(3,5-ジ-tert-ブチルベンジル)-4,4′-ジオキソ-2′-チオキソ-Δ2,5′-ビチアゾリジン-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: C67H59N3O4S6
Molecular formula furigana: C67-H59-N3-O4-S6
Molecular weight: 1162.590
InChI: InChI=1S/C67H59N3O4S6/c1-66(2,3)45-32-41(33-46(36-45)67(4,5)6)38-69-63(74)61(80-65(69)75)64-68(39-60(71)72)62(73)59(79-64)37-48-25-27-55(76-48)56-30-31-58(78-56)57-29-28-54(77-57)44-22-26-53-51(35-44)49-18-13-19-52(49)70(53)47-23-20-40(21-24-47)34-50(42-14-9-7-10-15-42)43-16-11-8-12-17-43/h7-12,14-17,20-37,49,52H,13,18-19,38-39H2,1-6H3,(H,71,72)
InChI key: FUGPGAPBPXJKHO-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(CN2C(=S)SC(=c3sc(=Cc4ccc(s4)c4ccc(s4)c4ccc(s4)c4ccc5N(C6CCCC6c5c4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)c(=O)n3CC(=O)O)C2=O)cc(c1)C(C)(C)C
Systematic name  (3):
  • 5-[5′′-[1,2,3,3a,4,8b-ヘキサヒドロ-4-[4-(2,2-ジフェニルエテニル)フェニル]シクロペンタ[b]インドール-7-イル]-5,2′:5′,2′′-テルチオフェン-2-イルメチレン]-3′-(3,5-ジ-tert-ブチルベンジル)-4,4′-ジオキソ-2′-チオキソ-Δ2,5′-ビチアゾリジン-3-酢酸
  • 2-(2-{3-[(3,5-ジ-tert-ブチルフェニル)メチル]-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}-5-{[5-(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}-[2,2'-ビチオフェン]-5-イル)チオフェン-2-イル]メチリデン}-4-オキソ-1,3-チアゾリジン-3-イル)酢酸
  • 2-(2-{3-[(3,5-di-tert-butylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-5-{[5-(5'-{4-[4-(2,2-diphenylethenyl)phenyl]-1H,2H,3H,3aH,4H,8bH-cyclopenta[b]indol-7-yl}-[2,2'-bithiophen]-5-yl)thiophen-2-yl]methylidene}-4-oxo-1,3-thiazolidin-3-yl)acetic acid
Other name (1):
  • 5-[5′′-[1,2,3,3a,4,8b-Hexahydro-4-[4-(2,2-diphenylethenyl)phenyl]cyclopenta[b]indole-7-yl]-5,2′:5′,2′′-terthiophene-2-ylmethylene]-3′-(3,5-di-tert-butylbenzyl)-4,4′-dioxo-2′-thioxo-Δ2,5′-bithiazolidine-3-acetic acid
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