Chem
J-GLOBAL ID：200907075815990196   Nikkaji number：J354.059F

PCA-4248

PCA-4248
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： C19H23NO4S
Molecular formula furigana： C19-H23-N-O4-S
Molecular weight： 361.460
InChI： InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
InChI key： DHCNAWNKZMNTIS-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C
Systematic name  (4)：
  • 2,6-ジメチル-4-メチル-1,4-ジヒドロピリジン-3,5-ジカルボン酸3-[2-(フェニルチオ)エチル]5-メチル
  • (1,4-ジヒドロ-5-メトキシカルボニル-2,4,6-トリメチルピリジン)-3-カルボン酸2-(フェニルチオ)エチル
  • 3-メチル 5-[2-(フェニルスルファニル)エチル] 2,4,6-トリメチル-1,4-ジヒドロピリジン-3,5-ジカルボキシラート
  • 3-methyl 5-[2-(phenylsulfanyl)ethyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Other name (3)：
  • PCA-4248
  • (1,4-Dihydro-5-methoxycarbonyl-2,4,6-trimethylpyridine)-3-carboxylic acid 2-(phenylthio)ethyl ester
  • 2,6-Dimethyl-4-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid 3-[2-(phenylthio)ethyl]5-methyl ester
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