Chem
J-GLOBAL ID：201507015477631899
Nikkaji number：J3.392.531J
(3S)-3α-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-7-chloro-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
(3S)-3α-(エトキシカルボニル)-3-[2-オキソ-2-(フェニルチオ)エチル]-7-クロロ-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： C18H16ClNO3[O-]2S[S+2]
Molecular formula furigana： C18-H16-CL-N-O5-S2
Molecular weight： 425.900
InChI：
InChI=1S/C18H16ClNO5S2/c1-2-25-17(22)18(11-15(21)26-12-7-4-3-5-8-12)13-9-6-10-14(19)16(13)27(23,24)20-18/h3-10,20H,2,11H2,1H3/t18-/m0/s1
InChI key：
FQYCKEONKKTJBB-SFHVURJKSA-N
SMILES：
CCOC(=O)[C@@]1(CC(=O)Sc2ccccc2)N[S+2]([O-])([O-])c2c1cccc2Cl
Systematic name (3)：
- (3S)-3α-(エトキシカルボニル)-3-[2-オキソ-2-(フェニルチオ)エチル]-7-クロロ-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
- (3S)-7-クロロ-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)
- (3S)-7-chloro-3-(ethoxycarbonyl)-3-[2-oxo-2-(phenylsulfanyl)ethyl]-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
- (3S)-3α-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-7-chloro-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide
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