Chem
J-GLOBAL ID：200907055103565935   Nikkaji number：J1.743.836K

(αE)-2-(Phenylthio)-1H-imidazole-5-acrylic acid ethyl ester

(αE)-2-(フェニルチオ)-1H-イミダゾール-5-アクリル酸エチル
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： C14H14N2O2S
Molecular formula furigana： C14-H14-N2-O2-S
Molecular weight： 274.340
InChI： InChI=1S/C14H14N2O2S/c1-2-18-13(17)9-8-11-10-15-14(16-11)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,15,16)/b9-8+
InChI key： GWAPMQKZUHCJNG-CMDGGOBGSA-N
SMILES： CCOC(=O)/C=C/c1cnc(Sc2ccccc2)[nH]1
Systematic name  (3)：
  • (αE)-2-(フェニルチオ)-1H-イミダゾール-5-アクリル酸エチル
  • エチル (2E)-3-[2-(フェニルスルファニル)-1H-イミダゾール-5-イル]プロパ-2-エノアート
  • ethyl (2E)-3-[2-(phenylsulfanyl)-1H-imidazol-5-yl]prop-2-enoate
Other name (1)：
  • (αE)-2-(Phenylthio)-1H-imidazole-5-acrylic acid ethyl ester
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