Chem
J-GLOBAL ID：200907034183891440   Nikkaji number：J1.485.710I

3-[2-(Methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-5-(phenylthiomethyl)-1H-pyrrole-2-carboxylic acid benzyl ester

3-[2-(メトキシカルボニル)エチル]-4-(メトキシカルボニルメチル)-5-(フェニルチオメチル)-1H-ピロール-2-カルボン酸ベンジル
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： C26H27NO6S
Molecular formula furigana： C26-H27-N-O6-S
Molecular weight： 481.560
InChI： InChI=1S/C26H27NO6S/c1-31-23(28)14-13-20-21(15-24(29)32-2)22(17-34-19-11-7-4-8-12-19)27-25(20)26(30)33-16-18-9-5-3-6-10-18/h3-12,27H,13-17H2,1-2H3
InChI key： VTQZLWCDPRNVOV-UHFFFAOYSA-N
SMILES： COC(=O)CCc1c(CC(=O)OC)c(CSc2ccccc2)[nH]c1C(=O)OCc1ccccc1
Systematic name  (3)：
  • 3-[2-(メトキシカルボニル)エチル]-4-(メトキシカルボニルメチル)-5-(フェニルチオメチル)-1H-ピロール-2-カルボン酸ベンジル
  • ベンジル 4-(2-メトキシ-2-オキソエチル)-3-(3-メトキシ-3-オキソプロピル)-5-[(フェニルスルファニル)メチル]-1H-ピロール-2-カルボキシラート
  • benzyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-[(phenylsulfanyl)methyl]-1H-pyrrole-2-carboxylate
Other name (1)：
  • 3-[2-(Methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-5-(phenylthiomethyl)-1H-pyrrole-2-carboxylic acid benzyl ester
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