Chem
J-GLOBAL ID：200907037150856524   Nikkaji number：J1.122.015K

BAY-12-9566

BAY-12-9566
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： C23H19ClO3S
Molecular formula furigana： C23-H19-CL-O3-S
Molecular weight： 410.910
InChI： InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
InChI key： JXAGDPXECXQWBC-LJQANCHMSA-N
SMILES： OC(=O)[C@@H](CSc1ccccc1)CC(=O)c1ccc(cc1)c1ccc(Cl)cc1
Systematic name  (4)：
  • (S)-2-(フェニルチオメチル)-4-オキソ-4-(4′-クロロ-4-ビフェニリル)酪酸
  • (2S)-4-(4′-クロロビフェニル-4-イル)-4-オキソ-2-(フェニルチオメチル)ブタン酸
  • (2S)-4-{4'-クロロ-[1,1'-ビフェニル]-4-イル}-4-オキソ-2-[(フェニルスルファニル)メチル]ブタン酸
  • (2S)-4-{4'-chloro-[1,1'-biphenyl]-4-yl}-4-oxo-2-[(phenylsulfanyl)methyl]butanoic acid
Other name (7)：
  • (2S)-4-(4′-Chlorobiphenyl-4-yl)-4-oxo-2-(phenylthiomethyl)butanoic acid
  • BAY-12-9566
  • Bay-12-9566
  • (S)-2-(Phenylthiomethyl)-4-oxo-4-(4′-chloro-4-biphenylyl)butyric acid
  • BAY12-9566
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