Chem
J-GLOBAL ID：200907037267808660   Nikkaji number：J1.461.029D

2-[(3-Oxo-1,2-benzisothiazole-2(3H)-yl)thio]benzoic acid ethyl 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： C16H13NO3S2
Molecular formula furigana： C16-H13-N-O3-S2
Molecular weight： 331.400
InChI： InChI=1S/C16H13NO3S2/c1-2-20-16(19)12-8-4-6-10-14(12)22-17-15(18)11-7-3-5-9-13(11)21-17/h3-10H,2H2,1H3
InChI key： GKTBYAUFOFCUEQ-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccccc1Sn1sc2ccccc2c1=O
Systematic name  (7)：
  • 2-[[3-オキソ-1,2-ベンゾイソチアゾール-2(3H)-イル]チオ]安息香酸エチル
  • 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]安息香酸エチル
  • 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)安息香酸エチル
  • 2-[(3-オキソ-1,2-ベンゾイソチアゾール-2(3H)-イル)チオ]安息香酸エチル
  • 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]安息香酸エチル
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Other name (5)：
  • 2-[[3-Oxo-1,2-benzisothiazole-2(3H)-yl]thio]benzoic acid ethyl ester
  • 2-[(3-Oxo-2,3-dihydro-1,2-benzisothiazole-2-yl)thio]benzoic acid ethyl ester
  • 2-(3-Oxo-2,3-dihydro-1,2-benzisothiazole-2-ylthio)benzoic acid ethyl ester
  • 2-[(3-Oxo-1,2-benzisothiazole-2(3H)-yl)thio]benzoic acid ethyl ester
  • 2-[(2,3-Dihydro-3-oxo-1,2-benzoisothiazole-2-yl)thio]benzoic acid ethyl ester
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