diethyl 2-[(3-ethoxy-2-formamido-3-oxidanylidene-propyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(3-ethoxy-2-formamido-3-oxidanylidene-propyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(3-ethoxy-2-formamido-3-oxo-propyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(3-ethoxy-2-formamido-3-oxopropyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-ethoxy-2-formamido-3-oxopropyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(3-ethoxy-2-formamido-3-keto-propyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H31N3O9S MolecularWeight: 549.59334

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)CSCC(C(=O)OCC)NC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O9S/c1-5-35-23(30)19(26-14-29)13-38-12-18-22(25(32)37-7-3)21(16-9-8-10-17(11-16)28(33)34)20(15(4)27-18)24(31)36-6-2/h8-11,14,19,21,27H,5-7,12-13H2,1-4H3,(H,26,29)