Chem
J-GLOBAL ID：201507021536525992   Nikkaji number：J3.392.529H

(3S)-3α-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-2,3-dihydronaphtho[2,1-d]isothiazole 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]-2,3-ジヒドロナフト[2,1-d]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： C22H19NO3[O-]2S[S+2]
Molecular formula furigana： C22-H19-N-O5-S2
Molecular weight： 441.520
InChI： InChI=1S/C22H19NO5S2/c1-2-28-21(25)22(14-19(24)29-16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)20(18)30(26,27)23-22/h3-13,23H,2,14H2,1H3/t22-/m0/s1
InChI key： PMKXBRAUQAVTQC-QFIPXVFZSA-N
SMILES： CCOC(=O)[C@@]1(CC(=O)Sc2ccccc2)N[S+2]([O-])([O-])c2c1ccc1ccccc21
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]-2,3-ジヒドロナフト[2,1-d]イソチアゾール1,1-ジオキシド
  • (3S)-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]-1H,2H,3H-ナフト[2,1-d][1,2]チアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • (3S)-3-(ethoxycarbonyl)-3-[2-oxo-2-(phenylsulfanyl)ethyl]-1H,2H,3H-naphtho[2,1-d][1,2]thiazole-1,1-diium-1,1-bis(olate)
Other name (1)：
  • (3S)-3α-(Ethoxycarbonyl)-3-[2-oxo-2-(phenylthio)ethyl]-2,3-dihydronaphtho[2,1-d]isothiazole 1,1-dioxide
Thsaurus map：
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