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5-cyano-6-[(2-oxo-2-phenylmethoxyethyl)thio]-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID Im0kpIsWQf6
InChI InChI=1S/C29H25N3O4S/c1-2-35-29(34)26-25(22-14-9-15-31-17-22)23(16-30)28(32-27(26)21-12-7-4-8-13-21)37-19-24(33)36-18-20-10-5-3-6-11-20/h3-15,17,25,32H,2,18-19H2,1H3
InChIKey OTTVAUWERGBDAN-UHFFFAOYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C29H25N3O4S
Exact Mass 511.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwBfsXkZnQI
Name 5-cyano-6-[(2-oxo-2-phenylmethoxyethyl)thio]-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
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Formula C29H25N3O4S
InChI InChI=1S/C29H25N3O4S/c1-2-35-29(34)26-25(22-14-9-15-31-17-22)23(16-30)28(32-27(26)21-12-7-4-8-13-21)37-19-24(33)36-18-20-10-5-3-6-11-20/h3-15,17,25,32H,2,18-19H2,1H3
InChIKey OTTVAUWERGBDAN-UHFFFAOYSA-N
Molecular Weight 511.596 g/mol
SMILES N1C(=C(C(C(=C1c1ccccc1)C(=O)OCC)c1cnccc1)C#N)SCC(=O)OCc1ccccc1
SPLASH splash10-0006-9344200000-f6ce905c116246798168
Synonyms 6-[(2-benzoxy-2-keto-ethyl)thio]-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Ethyl 5-cyano-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Ethyl 5-cyano-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Ethyl 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate
Wiley ID 1455022