Chem
J-GLOBAL ID：201507080952760298
Nikkaji number：J3.392.528J
(3R)-3β-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-5-methoxy-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]-5-メトキシ-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 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
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
Molecular formula： C19H19NO4[O-]2S[S+2]
Molecular formula furigana： C19-H19-N-O6-S2
Molecular weight： 421.480
InChI：
InChI=1S/C19H19NO6S2/c1-3-26-18(22)19(12-17(21)27-14-7-5-4-6-8-14)15-11-13(25-2)9-10-16(15)28(23,24)20-19/h4-11,20H,3,12H2,1-2H3/t19-/m1/s1
InChI key：
XGHRZFJFCNGWAY-LJQANCHMSA-N
SMILES：
CCOC(=O)[C@]1(CC(=O)Sc2ccccc2)N[S+2]([O-])([O-])c2ccc(OC)cc12
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]-5-メトキシ-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)-5-メトキシ-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)-5-methoxy-3-[2-oxo-2-(phenylsulfanyl)ethyl]-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
- (3R)-3β-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-5-methoxy-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
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