Chem
J-GLOBAL ID:200907050994372642   Nikkaji number:J2.472.953B

(4S)-2-Phenyl-4-[(αR)-α-[[imino[(methylsulfinyl)methylthio]methyl]amino]benzyl]oxazole-5(4H)-one

(4S)-2-フェニル-4-[(αR)-α-[[イミノ[(メチルスルフィニル)メチルチオ]メチル]アミノ]ベンジル]オキサゾール-5(4H)-オン
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: C19H19N3O3S2
Molecular formula furigana: C19-H19-N3-O3-S2
Molecular weight: 401.500
InChI: InChI=1S/C19H19N3O3S2/c1-27(24)12-26-19(20)22-15(13-8-4-2-5-9-13)16-18(23)25-17(21-16)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3,(H2,20,22)/t15-,16+,27?/m1/s1
InChI key: GAHDDWIVWYTZFJ-DUAQONCDSA-N
SMILES: CS(=O)CSC(=N)N[C@@H]([C@@H]1N=C(OC1=O)c1ccccc1)c1ccccc1
Systematic name  (3):
  • (4S)-2-フェニル-4-[(αR)-α-[[イミノ[(メチルスルフィニル)メチルチオ]メチル]アミノ]ベンジル]オキサゾール-5(4H)-オン
  • N-[(R)-[(4S)-5-オキソ-2-フェニル-4,5-ジヒドロ-1,3-オキサゾール-4-イル](フェニル)メチル][(メタンスルフィニルメチル)スルファニル]メタンイミドアミド
  • N-[(R)-[(4S)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl](phenyl)methyl][(methanesulfinylmethyl)sulfanyl]methanimidamide
Other name (1):
  • (4S)-2-Phenyl-4-[(αR)-α-[[imino[(methylsulfinyl)methylthio]methyl]amino]benzyl]oxazole-5(4H)-one
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