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

Systemtic Name: ethyl 5-cyano-6-methyl-4-(2-methylphenyl)-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-(o-tolyl)-2-(4-pyridylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-4-(2-methylphenyl)-2-[(pyridin-4-ylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-(2-methylphenyl)-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-4-(o-tolyl)-2-[(4-pyridylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C)C#N)C)CSC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C)C#N)C)CSC3=CC=NC=C3

InChI

InChI=1S/C23H23N3O2S/c1-4-28-23(27)22-20(14-29-17-9-11-25-12-10-17)26-16(3)19(13-24)21(22)18-8-6-5-7-15(18)2/h5-12,21,26H,4,14H2,1-3H3