Chem
J-GLOBAL ID：201707020005596932
Nikkaji number：J3.595.165B
(S)-2-(2-Thienyl)-2-(2-methyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid ethyl ester
(S)-2-(2-チエニル)-2-(2-メチル-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 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
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
Molecular formula： C14H15[N+]O5[O-]S
Molecular formula furigana： C14-H15-N-O6-S
Molecular weight： 325.340
InChI：
InChI=1S/C14H15NO6S/c1-3-20-12(17)14(9-15(18)19,10-5-4-8-22-10)13(2)7-6-11(16)21-13/h4-8H,3,9H2,1-2H3/t13-,14-/m1/s1
InChI key：
XBSZWPZLMSYXGU-ZIAGYGMSSA-N
SMILES：
CCOC(=O)[C@@](C[N+](=O)[O-])(c1cccs1)[C@]1(C)OC(=O)C=C1
Systematic name (3)：
- (S)-2-(2-チエニル)-2-(2-メチル-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-メチル-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-methyl-5-oxo-2,5-dihydrofuran-2-yl]-3-nitro-2-(thiophen-2-yl)propanoate
- (S)-2-(2-Thienyl)-2-(2-methyl-5-oxo-2,5-dihydrofuran-2β-yl)-3-nitropropanoic acid ethyl ester
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