Chem
J-GLOBAL ID：200907052563859849   Nikkaji number：J1.485.711G

3-[2-(Methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-5-(tert-butylthiomethyl)-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-(tert-ブチルチオメチル)-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： C24H31NO6S
Molecular formula furigana： C24-H31-N-O6-S
Molecular weight： 461.570
InChI： InChI=1S/C24H31NO6S/c1-24(2,3)32-15-19-18(13-21(27)30-5)17(11-12-20(26)29-4)22(25-19)23(28)31-14-16-9-7-6-8-10-16/h6-10,25H,11-15H2,1-5H3
InChI key： UIMGGFFVDUXNRL-UHFFFAOYSA-N
SMILES： COC(=O)CCc1c(CC(=O)OC)c(CSC(C)(C)C)[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-(tert-ブチルチオメチル)-1H-ピロール-2-カルボン酸ベンジル
  • ベンジル 5-[(tert-ブチルスルファニル)メチル]-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)-1H-ピロール-2-カルボキシラート
  • benzyl 5-[(tert-butylsulfanyl)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Other name (1)：
  • 3-[2-(Methoxycarbonyl)ethyl]-4-(methoxycarbonylmethyl)-5-(tert-butylthiomethyl)-1H-pyrrole-2-carboxylic acid benzyl ester
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