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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[(3-nitrophenyl)carbonylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-[(3-nitrobenzoyl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[[(3-nitrophenyl)-oxomethyl]thio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-[(3-nitrobenzoyl)sulfanylmethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[[(3-nitrobenzoyl)thio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H25N3O9S MolecularWeight: 555.5564

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)CSC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O9S/c1-4-37-24(30)21-15(3)27-20(14-39-26(32)17-9-7-11-19(13-17)29(35)36)23(25(31)38-5-2)22(21)16-8-6-10-18(12-16)28(33)34/h6-13,22,27H,4-5,14H2,1-3H3