(phenylmethyl) 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-15-20(23(26)28-14-16-7-5-4-6-8-16)21(19(13-24)22(25-15)29-3)17-9-11-18(27-2)12-10-17/h4-12,21,25H,14H2,1-3H3