Chem
J-GLOBAL ID：200907051336470610   Nikkaji number：J1.921.663B

Benzoic acid [(2S)-1-benzoyl-4α-(phenylthio)pyrrolidine-2α-yl]methyl ester

安息香酸[(2S)-1-ベンゾイル-4α-(フェニルチオ)ピロリジン-2α-イル]メチル
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： C25H23NO3S
Molecular formula furigana： C25-H23-N-O3-S
Molecular weight： 417.520
InChI： InChI=1S/C25H23NO3S/c27-24(19-10-4-1-5-11-19)26-17-23(30-22-14-8-3-9-15-22)16-21(26)18-29-25(28)20-12-6-2-7-13-20/h1-15,21,23H,16-18H2/t21-,23-/m0/s1
InChI key： GKAKILHDBMQUFV-GMAHTHKFSA-N
SMILES： O=C(OC[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)Sc1ccccc1)c1ccccc1
Systematic name  (3)：
  • 安息香酸[(2S)-1-ベンゾイル-4α-(フェニルチオ)ピロリジン-2α-イル]メチル
  • [(2S,4S)-1-ベンゾイル-4-(フェニルスルファニル)ピロリジン-2-イル]メチル ベンゾアート
  • [(2S,4S)-1-benzoyl-4-(phenylsulfanyl)pyrrolidin-2-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [(2S)-1-benzoyl-4α-(phenylthio)pyrrolidine-2α-yl]methyl ester
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