diethyl 2-methyl-6-(phenylsulfanylmethyl)-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-(phenylsulfanylmethyl)-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-(phenylsulfanylmethyl)-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[(phenylthio)methyl]-4-(3-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-(phenylsulfanylmethyl)-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[(phenylthio)methyl]-4-(3-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC)CSC3=CC=CC=C3)C

InChI

InChI=1S/C24H26N2O4S/c1-4-29-23(27)20-16(3)26-19(15-31-18-11-7-6-8-12-18)22(24(28)30-5-2)21(20)17-10-9-13-25-14-17/h6-14,21,26H,4-5,15H2,1-3H3