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5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 2gnxY3FodWw
InChI InChI=1S/C23H21N3O4S/c1-3-30-23(28)20-19(16-10-7-11-25-13-16)17(12-24)22(31-14-18(27)29-2)26-21(20)15-8-5-4-6-9-15/h4-11,13,19,26H,3,14H2,1-2H3
InChIKey JDHXXWSWQYVYLR-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C23H21N3O4S
Exact Mass 435.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jXQ63SbIqS
Name 5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
Alternate Name(s) 5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Ethyl 5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Ethyl 5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate
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Formula C23H21N3O4S
InChI InChI=1S/C23H21N3O4S/c1-3-30-23(28)20-19(16-10-7-11-25-13-16)17(12-24)22(31-14-18(27)29-2)26-21(20)15-8-5-4-6-9-15/h4-11,13,19,26H,3,14H2,1-2H3
InChIKey JDHXXWSWQYVYLR-UHFFFAOYSA-N
Molecular Weight 435.498 g/mol
SMILES N1C(=C(C(C(=C1c1ccccc1)C(=O)OCC)c1cnccc1)C#N)SCC(=O)OC
SPLASH splash10-0bt9-3589100000-95b103b4669f386b0058
Wiley ID 1455017