diethyl 2-[(4-aminophenyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(4-aminophenyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(4-aminophenyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(4-aminophenyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-aminophenyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(4-aminophenyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC3=CC=C(C=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC3=CC=C(C=C3)N)C

InChI

InChI=1S/C25H27N3O6S/c1-4-33-24(29)21-15(3)27-20(14-35-19-11-9-17(26)10-12-19)23(25(30)34-5-2)22(21)16-7-6-8-18(13-16)28(31)32/h6-13,22,27H,4-5,14,26H2,1-3H3