Chem
J-GLOBAL ID：200907047285082338   Nikkaji number：J1.556.442C

(5β)-3α-Phenyl-3-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid 4-nitrobenzyl ester

(5β)-3α-フェニル-3-(メチルチオ)-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸4-ニトロベンジル
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： C20H18N[N+]O4[O-]S2
Molecular formula furigana： C20-H18-N2-O5-S2
Molecular weight： 430.490
InChI： InChI=1S/C20H18N2O5S2/c1-28-20(14-5-3-2-4-6-14)18(21-16(23)11-17(21)29-20)19(24)27-12-13-7-9-15(10-8-13)22(25)26/h2-10,17-18H,11-12H2,1H3/t17-,18+,20+/m1/s1
InChI key： YJPCZFQZBPQPFL-HBFSDRIKSA-N
SMILES： CS[C@]1(S[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Systematic name  (3)：
  • (5β)-3α-フェニル-3-(メチルチオ)-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸4-ニトロベンジル
  • (4-ニトロフェニル)メチル (2S,3S,5R)-3-(メチルスルファニル)-7-オキソ-3-フェニル-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボキシラート
  • (4-nitrophenyl)methyl (2S,3S,5R)-3-(methylsulfanyl)-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (1)：
  • (5β)-3α-Phenyl-3-(methylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid 4-nitrobenzyl ester
Thsaurus map：
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