Chem
J-GLOBAL ID：201707000312897027   Nikkaji number：J3.595.172E

(S)-2-(2-Thienyl)-2-(2-isobutyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid ethyl ester

(S)-2-(2-チエニル)-2-(2-イソブチル-5-オキソ-2,5-ジヒドロフラン-2β-イル)-3-ニトロプロパン酸エチル
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： C17H21[N+]O5[O-]S
Molecular formula furigana： C17-H21-N-O6-S
Molecular weight： 367.420
InChI： InChI=1S/C17H21NO6S/c1-4-23-15(20)17(11-18(21)22,13-6-5-9-25-13)16(10-12(2)3)8-7-14(19)24-16/h5-9,12H,4,10-11H2,1-3H3/t16-,17+/m0/s1
InChI key： XTWSMJXOFKHAGS-DLBZAZTESA-N
SMILES： CCOC(=O)[C@@](C[N+](=O)[O-])(c1cccs1)[C@]1(CC(C)C)OC(=O)C=C1
Systematic name  (3)：
  • (S)-2-(2-チエニル)-2-(2-イソブチル-5-オキソ-2,5-ジヒドロフラン-2β-イル)-3-ニトロプロパン酸エチル
  • エチル (2S)-2-[(2R)-2-(2-メチルプロピル)-5-オキソ-2,5-ジヒドロフラン-2-イル]-3-ニトロ-2-(チオフェン-2-イル)プロパノアート
  • ethyl (2S)-2-[(2R)-2-(2-methylpropyl)-5-oxo-2,5-dihydrofuran-2-yl]-3-nitro-2-(thiophen-2-yl)propanoate
Other name (1)：
  • (S)-2-(2-Thienyl)-2-(2-isobutyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid ethyl ester
Thsaurus map：
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