Chem
J-GLOBAL ID:200907017914887194   Nikkaji number:J253.209C

2-Methyl-4-[[2-(methoxycarbonyl)ethyl]thio]-1-methyl-1H-pyrrole-3-carboxylic acid methyl ester

2-メチル-4-[[2-(メトキシカルボニル)エチル]チオ]-1-メチル-1H-ピロール-3-カルボン酸メチル
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: C12H17NO4S
Molecular formula furigana: C12-H17-N-O4-S
Molecular weight: 271.330
InChI: InChI=1S/C12H17NO4S/c1-8-11(12(15)17-4)9(7-13(8)2)18-6-5-10(14)16-3/h7H,5-6H2,1-4H3
InChI key: IVKGJKAVQVMBHB-UHFFFAOYSA-N
SMILES: COC(=O)CCSc1cn(C)c(C)c1C(=O)OC
Systematic name  (3):
  • 2-メチル-4-[[2-(メトキシカルボニル)エチル]チオ]-1-メチル-1H-ピロール-3-カルボン酸メチル
  • メチル 4-[(3-メトキシ-3-オキソプロピル)スルファニル]-1,2-ジメチル-1H-ピロール-3-カルボキシラート
  • methyl 4-[(3-methoxy-3-oxopropyl)sulfanyl]-1,2-dimethyl-1H-pyrrole-3-carboxylate
Other name (1):
  • 2-Methyl-4-[[2-(methoxycarbonyl)ethyl]thio]-1-methyl-1H-pyrrole-3-carboxylic acid methyl ester
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