methyl 2,6-dimethyl-4-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-4-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-4-(4-methylsulfanylphenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[4-(methylthio)phenyl]-5-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-[4-(methylthio)phenyl]-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)SC)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)SC)C3=CN=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-13-18(16-6-5-11-22-12-16)20(15-7-9-17(26-4)10-8-15)19(14(2)23-13)21(24)25-3/h5-12,20,23H,1-4H3