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

Systemtic Name: ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4S/c1-5-31-24(28)21-15(2)27-23(32-14-16-7-6-10-26-13-16)18(12-25)22(21)17-8-9-19(29-3)20(11-17)30-4/h6-11,13,22,27H,5,14H2,1-4H3