ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC3=CN=CC=C3)C

InChI

InChI=1S/C24H23N3O4S/c1-4-31-24(29)20-15(2)27-22(32-14-16-6-5-11-26-13-16)19(12-25)21(20)17-7-9-18(10-8-17)23(28)30-3/h5-11,13,21,27H,4,14H2,1-3H3