Chem
J-GLOBAL ID：201807000051348648   Nikkaji number：J3.708.233C

4-Methoxybenzenepropanethioic acid S-(2-pyridinyl) ester

4-メトキシベンゼンプロパンチオ酸S-(2-ピリジニル)
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： C15H15NO2S
Molecular formula furigana： C15-H15-N-O2-S
Molecular weight： 273.350
InChI： InChI=1S/C15H15NO2S/c1-18-13-8-5-12(6-9-13)7-10-15(17)19-14-4-2-3-11-16-14/h2-6,8-9,11H,7,10H2,1H3
InChI key： PPVKUHRBHDJUMR-UHFFFAOYSA-N
SMILES： COc1ccc(CCC(=O)Sc2ccccn2)cc1
Systematic name  (3)：
  • 4-メトキシベンゼンプロパンチオ酸S-(2-ピリジニル)
  • 3-(4-メトキシフェニル)-1-(ピリジン-2-イルスルファニル)プロパン-1-オン
  • 3-(4-methoxyphenyl)-1-(pyridin-2-ylsulfanyl)propan-1-one
Other name (1)：
  • 4-Methoxybenzenepropanethioic acid S-(2-pyridinyl) ester
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