Chem
J-GLOBAL ID：200907069165371828   Nikkaji number：J715.258B

2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

2-イソチオシアナト-4,5,6,7-テトラヒドロ-1-ベンゾチオフェン-3-カルボン酸エチル
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： C12H13NO2S2
Molecular formula furigana： C12-H13-N-O2-S2
Molecular weight： 267.360
InChI： InChI=1S/C12H13NO2S2/c1-2-15-12(14)10-8-5-3-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3
InChI key： UGKJYSQOLXXTJG-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c(N=C=S)sc2CCCCc12
Systematic name  (4)：
  • 2-イソチオシアナト-4,5,6,7-テトラヒドロ-1-ベンゾチオフェン-3-カルボン酸エチル
  • 2-イソチオシアナト-4,5,6,7-テトラヒドロベンゾ[b]チオフェン-3-カルボン酸エチル
  • エチル 2-イソチオシアナト-4,5,6,7-テトラヒドロ-1-ベンゾチオフェン-3-カルボキシラート
  • ethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Other name (2)：
  • 2-Isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
  • 2-Isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester
Thsaurus map：
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