diethyl 2-methyl-4-(2-methylsulfanylphenyl)-6-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(2-methylsulfanylphenyl)-6-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(2-methylsulfanylphenyl)-6-[(E)-styryl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[2-(methylthio)phenyl]-6-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(2-methylsulfanylphenyl)-6-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[2-(methylthio)phenyl]-6-[(E)-styryl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C27H29NO4S/c1-5-31-26(29)23-18(3)28-21(17-16-19-12-8-7-9-13-19)25(27(30)32-6-2)24(23)20-14-10-11-15-22(20)33-4/h7-17,24,28H,5-6H2,1-4H3/b17-16+