Chem
J-GLOBAL ID：201507024007828997   Nikkaji number：J3.392.526C

(3R)-3β-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide

(3R)-3β-(エトキシカルボニル)-3-[2-オキソ-2-(フェニルチオ)エチル]-2,3-ジヒドロ-1,2-ベンゾイソチアゾール1,1-ジオキシド
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： C18H17NO3[O-]2S[S+2]
Molecular formula furigana： C18-H17-N-O5-S2
Molecular weight： 391.460
InChI： InChI=1S/C18H17NO5S2/c1-2-24-17(21)18(12-16(20)25-13-8-4-3-5-9-13)14-10-6-7-11-15(14)26(22,23)19-18/h3-11,19H,2,12H2,1H3/t18-/m1/s1
InChI key： ZLDHJFIGSXVSNC-GOSISDBHSA-N
SMILES： CCOC(=O)[C@]1(CC(=O)Sc2ccccc2)N[S+2]([O-])([O-])c2ccccc12
Systematic name  (3)：
  • (3R)-3β-(エトキシカルボニル)-3-[2-オキソ-2-(フェニルチオ)エチル]-2,3-ジヒドロ-1,2-ベンゾイソチアゾール1,1-ジオキシド
  • (3R)-3-(エトキシカルボニル)-3-[2-オキソ-2-(フェニルスルファニル)エチル]-2,3-ジヒドロ-1H-1,2-ベンゾチアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • (3R)-3-(ethoxycarbonyl)-3-[2-oxo-2-(phenylsulfanyl)ethyl]-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
Other name (1)：
  • (3R)-3β-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
Thsaurus map：
Thesaurus Map

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