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

Systemtic Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-14-19(22(26)28-3)20(16-6-8-17(27-2)9-7-16)18(11-23)21(25-14)29-13-15-5-4-10-24-12-15/h4-10,12,20,25H,13H2,1-3H3