Chem
J-GLOBAL ID：201007046281822250   Nikkaji number：J2.781.242B

3,3′-[1,2-Phenylenebis(methylenethio)]bis[1-(4-bromobenzoyl)-2-thia-3b-azacyclopenta[a]indene-8-carboxylic acid ethyl] ester

3,3′-[1,2-フェニレンビス(メチレンチオ)]ビス[1-(4-ブロモベンゾイル)-2-チア-3b-アザシクロペンタ[a]インデン-8-カルボン酸エチル]
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： C48H34Br2N2O6S4
Molecular formula furigana： C48-H34-BR2-N2-O6-S4
Molecular weight： 1022.860
InChI： InChI=1S/C48H34Br2N2O6S4/c1-3-57-45(55)35-33-13-7-9-23-51(33)39-37(35)43(41(53)27-15-19-31(49)20-16-27)61-47(39)59-25-29-11-5-6-12-30(29)26-60-48-40-38(44(62-48)42(54)28-17-21-32(50)22-18-28)36(46(56)58-4-2)34-14-8-10-24-52(34)40/h5-24H,3-4,25-26H2,1-2H3
InChI key： RYERJNWBSKJUKB-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c2ccccn2c2c(SCc3ccccc3CSc3sc(C(=O)c4ccc(Br)cc4)c4c(C(=O)OCC)c5ccccn5c34)sc(C(=O)c3ccc(Br)cc3)c12
Systematic name  (3)：
  • 3,3′-[1,2-フェニレンビス(メチレンチオ)]ビス[1-(4-ブロモベンゾイル)-2-チア-3b-アザシクロペンタ[a]インデン-8-カルボン酸エチル]
  • エチル 1-(4-ブロモベンゾイル)-3-({[2-({[1-(4-ブロモベンゾイル)-9-(エトキシカルボニル)チエノ[3,4-b]インドリジン-3-イル]スルファニル}メチル)フェニル]メチル}スルファニル)チエノ[3,4-b]インドリジン-9-カルボキシラート
  • ethyl 1-(4-bromobenzoyl)-3-({[2-({[1-(4-bromobenzoyl)-9-(ethoxycarbonyl)thieno[3,4-b]indolizin-3-yl]sulfanyl}methyl)phenyl]methyl}sulfanyl)thieno[3,4-b]indolizine-9-carboxylate
Other name (1)：
  • 3,3′-[1,2-Phenylenebis(methylenethio)]bis[1-(4-bromobenzoyl)-2-thia-3b-azacyclopenta[a]indene-8-carboxylic acid ethyl] ester
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