ethyl 5-cyano-6-methyl-4-phenyl-2-(phenylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-4-phenyl-2-(phenylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-phenyl-2-(phenylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-4-phenyl-2-[(phenylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-phenyl-2-(phenylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-4-phenyl-2-[(phenylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)C)CSC3=CC=CC=C3

InChI

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