Chem
J-GLOBAL ID：200907019265842480   Nikkaji number：J1.204.675H

2-[[3-Oxo-1,2-benzisothiazole-2(3H)-yl]thio]benzoic acid methyl ester

2-[[3-オキソ-1,2-ベンゾイソチアゾール-2(3H)-イル]チオ]安息香酸メチル
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： C15H11NO3S2
Molecular formula furigana： C15-H11-N-O3-S2
Molecular weight： 317.380
InChI： InChI=1S/C15H11NO3S2/c1-19-15(18)11-7-3-5-9-13(11)21-16-14(17)10-6-2-4-8-12(10)20-16/h2-9H,1H3
InChI key： REEWQJRWGACEJS-UHFFFAOYSA-N
SMILES： COC(=O)c1ccccc1Sn1sc2ccccc2c1=O
Systematic name  (6)：
  • 2-[[3-オキソ-1,2-ベンゾイソチアゾール-2(3H)-イル]チオ]安息香酸メチル
  • 2-[(3-オキソ-2,3-ジヒドロ-1,2-ベンゾイソチアゾール-2-イル)チオ]安息香酸メチル
  • 2-[(2,3-ジヒドロ-3-オキソ-1,2-ベンゾイソチアゾール-2-イル)チオ]安息香酸メチル
  • 2-(3-オキソ-2,3-ジヒドロ-1,2-ベンゾイソチアゾール-2-イルチオ)安息香酸メチル
  • メチル 2-[(3-オキソ-2,3-ジヒドロ-1,2-ベンゾチアゾール-2-イル)スルファニル]ベンゾアート
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Other name (4)：
  • 2-[[3-Oxo-1,2-benzisothiazole-2(3H)-yl]thio]benzoic acid methyl ester
  • 2-[(3-Oxo-2,3-dihydro-1,2-benzisothiazole-2-yl)thio]benzoic acid methyl ester
  • 2-[(2,3-Dihydro-3-oxo-1,2-benzisothiazole-2-yl)thio]benzoic acid methyl ester
  • 2-(3-Oxo-2,3-dihydro-1,2-benzisothiazole-2-ylthio)benzoic acid methyl ester
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