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

Systemtic Name: propyl 5-cyano-2,6-dimethyl-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S/c1-4-14-29-25(28)23-18(3)27-17(2)21(15-26)24(23)20-12-8-9-13-22(20)30-16-19-10-6-5-7-11-19/h5-13,24,27H,4,14,16H2,1-3H3