Chem
J-GLOBAL ID：200907086923221877   Nikkaji number：J2.122.148A

2-[(1-Cyano-2-oxo-2-ethoxyethyl)thio]benzoic acid methyl ester

2-[2-(メトキシカルボニル)フェニルチオ]-2-シアノ酢酸エチル
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： C13H13NO4S
Molecular formula furigana： C13-H13-N-O4-S
Molecular weight： 279.310
InChI： InChI=1S/C13H13NO4S/c1-3-18-13(16)11(8-14)19-10-7-5-4-6-9(10)12(15)17-2/h4-7,11H,3H2,1-2H3
InChI key： AVLNHXATXJQCHQ-UHFFFAOYSA-N
SMILES： CCOC(=O)C(Sc1ccccc1C(=O)OC)C#N
Systematic name  (4)：
  • 2-[2-(メトキシカルボニル)フェニルチオ]-2-シアノ酢酸エチル
  • 2-[(1-シアノ-2-オキソ-2-エトキシエチル)チオ]安息香酸メチル
  • メチル 2-[(1-シアノ-2-エトキシ-2-オキソエチル)スルファニル]ベンゾアート
  • methyl 2-[(1-cyano-2-ethoxy-2-oxoethyl)sulfanyl]benzoate
Other name (2)：
  • 2-[2-(Methoxycarbonyl)phenylthio]-2-cyanoacetic acid ethyl ester
  • 2-[(1-Cyano-2-oxo-2-ethoxyethyl)thio]benzoic acid methyl ester
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