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

Systemtic Name: ethyl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SCC3=CC=CC=C3)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SCC3=CC=CC=C3)C#N)C)C

InChI

InChI=1S/C24H24N2O2S/c1-4-28-24(27)22-17(3)26-16(2)20(14-25)23(22)19-12-8-9-13-21(19)29-15-18-10-6-5-7-11-18/h5-13,23,26H,4,15H2,1-3H3