Chem
J-GLOBAL ID：201607013276954954   Nikkaji number：J3.520.352D

(2S,3S,4S)-2-Hydroxy-3-nitro-4-(2-methylphenyl)-4-(phenylthio)butanoic acid ethyl ester

(2S,3S,4S)-2-ヒドロキシ-3-ニトロ-4-(2-メチルフェニル)-4-(フェニルチオ)ブタン酸エチル
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： C19H21[N+]O4[O-]S
Molecular formula furigana： C19-H21-N-O5-S
Molecular weight： 375.440
InChI： InChI=1S/C19H21NO5S/c1-3-25-19(22)17(21)16(20(23)24)18(15-12-8-7-9-13(15)2)26-14-10-5-4-6-11-14/h4-12,16-18,21H,3H2,1-2H3/t16-,17-,18-/m0/s1
InChI key： CVJVGTTYHPQOHV-BZSNNMDCSA-N
SMILES： CCOC(=O)[C@@H](O)[C@@H]([C@@H](Sc1ccccc1)c1ccccc1C)[N+](=O)[O-]
Systematic name  (3)：
  • (2S,3S,4S)-2-ヒドロキシ-3-ニトロ-4-(2-メチルフェニル)-4-(フェニルチオ)ブタン酸エチル
  • エチル (2S,3S,4S)-2-ヒドロキシ-4-(2-メチルフェニル)-3-ニトロ-4-(フェニルスルファニル)ブタノアート
  • ethyl (2S,3S,4S)-2-hydroxy-4-(2-methylphenyl)-3-nitro-4-(phenylsulfanyl)butanoate
Other name (1)：
  • (2S,3S,4S)-2-Hydroxy-3-nitro-4-(2-methylphenyl)-4-(phenylthio)butanoic acid ethyl ester
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