methyl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanylphenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O2S/c1-15-19(13-24)22(21(16(2)25-15)23(26)27-3)18-11-7-8-12-20(18)28-14-17-9-5-4-6-10-17/h4-12,22,25H,14H2,1-3H3