Chem
J-GLOBAL ID：201007065398578762
Nikkaji number：J2.781.243K
3,3′-[1,2-Phenylenebis(methylenethio)]bis(1-benzoyl-5,7-dimethyl-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-ベンゾイル-5,7-ジメチル-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 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
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
Molecular formula： C52H44N2O6S4
Molecular formula furigana： C52-H44-N2-O6-S4
Molecular weight： 921.170
InChI：
InChI=1S/C52H44N2O6S4/c1-7-59-49(57)39-37-43(53-25-29(3)23-31(5)41(39)53)51(63-47(37)45(55)33-17-11-9-12-18-33)61-27-35-21-15-16-22-36(35)28-62-52-44-38(48(64-52)46(56)34-19-13-10-14-20-34)40(50(58)60-8-2)42-32(6)24-30(4)26-54(42)44/h9-26H,7-8,27-28H2,1-6H3
InChI key：
PPTKHKJVVYWDAJ-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1c2c(sc(SCc3ccccc3CSc3sc(C(=O)c4ccccc4)c4c(C(=O)OCC)c5c(C)cc(C)cn5c34)c2n2cc(C)cc(C)c12)C(=O)c1ccccc1
Systematic name (3)：
- 3,3′-[1,2-フェニレンビス(メチレンチオ)]ビス(1-ベンゾイル-5,7-ジメチル-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-ベンゾイル-3-({[2-({[1-ベンゾイル-9-(エトキシカルボニル)-6,8-ジメチルチエノ[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)-6,8-ジメチルチエノ[3,4-b]インドリジン-9-カルボキシラート
- ethyl 1-benzoyl-3-({[2-({[1-benzoyl-9-(ethoxycarbonyl)-6,8-dimethylthieno[3,4-b]indolizin-3-yl]sulfanyl}methyl)phenyl]methyl}sulfanyl)-6,8-dimethylthieno[3,4-b]indolizine-9-carboxylate
- 3,3′-[1,2-Phenylenebis(methylenethio)]bis(1-benzoyl-5,7-dimethyl-2-thia-3b-azacyclopenta[a]indene-8-carboxylic acid ethyl) ester
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