Chem
J-GLOBAL ID:200907001349557980   Nikkaji number:J1.183.618F

(3S,4S)-1,3-Diphenyl-3-[(methylbenzylcarbamoyl)thio]-4-(4-nitrophenyl)azetidine-2-one

(3S,4S)-1,3-ジフェニル-3-[(メチルベンジルカルバモイル)チオ]-4-(4-ニトロフェニル)アゼチジン-2-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: C30H25N2[N+]O3[O-]S
Molecular formula furigana: C30-H25-N3-O4-S
Molecular weight: 523.610
InChI: InChI=1S/C30H25N3O4S/c1-31(21-22-11-5-2-6-12-22)29(35)38-30(24-13-7-3-8-14-24)27(23-17-19-26(20-18-23)33(36)37)32(28(30)34)25-15-9-4-10-16-25/h2-20,27H,21H2,1H3/t27-,30-/m0/s1
InChI key: HFMRQBRKAXPQIJ-FIBWVYCGSA-N
SMILES: CN(Cc1ccccc1)C(=O)S[C@]1([C@@H](N(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Systematic name  (4):
  • メチルベンジルチオカルバミド酸S-[(2S)-1,3-ジフェニル-2β-(4-ニトロフェニル)-4-オキソ-3α-アゼチジニル]
  • (3S,4S)-1,3-ジフェニル-3-[(メチルベンジルカルバモイル)チオ]-4-(4-ニトロフェニル)アゼチジン-2-オン
  • N-ベンジル-N-メチル-1-{[(2S,3S)-2-(4-ニトロフェニル)-4-オキソ-1,3-ジフェニルアゼチジン-3-イル]スルファニル}ホルムアミド
  • N-benzyl-N-methyl-1-{[(2S,3S)-2-(4-nitrophenyl)-4-oxo-1,3-diphenylazetidin-3-yl]sulfanyl}formamide
Other name (2):
  • Methylbenzylthiocarbamic acid S-[(2S)-1,3-diphenyl-2β-(4-nitrophenyl)-4-oxo-3α-azetidinyl] ester
  • (3S,4S)-1,3-Diphenyl-3-[(methylbenzylcarbamoyl)thio]-4-(4-nitrophenyl)azetidine-2-one
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