Chem
J-GLOBAL ID:200907076718041810   Nikkaji number:J1.713.394B

2-Oxo-6-(methylthio)-8-[4-(1-imidazolyl)phenyl]tetralin-5-carboxylic acid methyl ester

2-オキソ-6-(メチルチオ)-8-[4-(1-イミダゾリル)フェニル]テトラリン-5-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: C22H20N2O3S
Molecular formula furigana: C22-H20-N2-O3-S
Molecular weight: 392.470
InChI: InChI=1S/C22H20N2O3S/c1-27-22(26)21-17-8-7-16(25)11-19(17)18(12-20(21)28-2)14-3-5-15(6-4-14)24-10-9-23-13-24/h3-6,9-10,12-13H,7-8,11H2,1-2H3
InChI key: MPCGSBZNRTUMML-UHFFFAOYSA-N
SMILES: COC(=O)c1c(SC)cc(c2CC(=O)CCc12)c1ccc(cc1)n1ccnc1
Systematic name  (3):
  • 2-オキソ-6-(メチルチオ)-8-[4-(1-イミダゾリル)フェニル]テトラリン-5-カルボン酸メチル
  • メチル 4-[4-(1H-イミダゾール-1-イル)フェニル]-2-(メチルスルファニル)-6-オキソ-5,6,7,8-テトラヒドロナフタレン-1-カルボキシラート
  • methyl 4-[4-(1H-imidazol-1-yl)phenyl]-2-(methylsulfanyl)-6-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate
Other name (1):
  • 2-Oxo-6-(methylthio)-8-[4-(1-imidazolyl)phenyl]tetralin-5-carboxylic acid methyl ester
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