Chem
J-GLOBAL ID：200907088305507223   Nikkaji number：J1.743.835B

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

(E)-3-[1-(メトキシメチル)-2-(フェニルチオ)-5-イミダゾリル]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： C16H18N2O3S
Molecular formula furigana： C16-H18-N2-O3-S
Molecular weight： 318.390
InChI： InChI=1S/C16H18N2O3S/c1-3-21-15(19)10-9-13-11-17-16(18(13)12-20-2)22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b10-9+
InChI key： VHQOWVGGZSFTGC-MDZDMXLPSA-N
SMILES： CCOC(=O)/C=C/c1cnc(Sc2ccccc2)n1COC
Systematic name  (4)：
  • (αE)-1-(メトキシメチル)-2-(フェニルチオ)-1H-イミダゾール-5-アクリル酸エチル
  • (E)-3-[1-(メトキシメチル)-2-(フェニルチオ)-5-イミダゾリル]アクリル酸エチル
  • エチル (2E)-3-[1-(メトキシメチル)-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-[1-(methoxymethyl)-2-(phenylsulfanyl)-1H-imidazol-5-yl]prop-2-enoate
Other name (2)：
  • (αE)-1-(Methoxymethyl)-2-(phenylthio)-1H-imidazole-5-acrylic acid ethyl ester
  • (E)-3-[1-(Methoxymethyl)-2-(phenylthio)-5-imidazolyl]acrylic acid ethyl ester
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