Chem
J-GLOBAL ID：201007067083159500   Nikkaji number：J2.822.015D

1-[(S)-1-(2-Thienyl)-2-nitroethyl]-2-oxocyclopentane-1α-carboxylic acid methyl ester

1-[(S)-1-(2-チエニル)-2-ニトロエチル]-2-オキソシクロペンタン-1α-カルボン酸メチル
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： C13H15[N+]O4[O-]S
Molecular formula furigana： C13-H15-N-O5-S
Molecular weight： 297.330
InChI： InChI=1S/C13H15NO5S/c1-19-12(16)13(6-2-5-11(13)15)9(8-14(17)18)10-4-3-7-20-10/h3-4,7,9H,2,5-6,8H2,1H3/t9-,13+/m0/s1
InChI key： ZRDGJYGKLCDDDK-TVQRCGJNSA-N
SMILES： COC(=O)[C@]1(CCCC1=O)[C@@H](C[N+](=O)[O-])c1cccs1
Systematic name  (3)：
  • 1-[(S)-1-(2-チエニル)-2-ニトロエチル]-2-オキソシクロペンタン-1α-カルボン酸メチル
  • メチル (1R)-1-[(1S)-2-ニトロ-1-(チオフェン-2-イル)エチル]-2-オキソシクロペンタン-1-カルボキシラート
  • methyl (1R)-1-[(1S)-2-nitro-1-(thiophen-2-yl)ethyl]-2-oxocyclopentane-1-carboxylate
Other name (1)：
  • 1-[(S)-1-(2-Thienyl)-2-nitroethyl]-2-oxocyclopentane-1α-carboxylic acid methyl ester
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