2-sulfanylethyl 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-sulfanylethyl 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-sulfanylethyl 2,6-dimethyl-5-nitro-4-(o-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(o-tolyl)-1,4-dihydropyridine-3-carboxylic acid 2-mercaptoethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCS

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCS

InChI

InChI=1S/C17H20N2O4S/c1-10-6-4-5-7-13(10)15-14(17(20)23-8-9-24)11(2)18-12(3)16(15)19(21)22/h4-7,15,18,24H,8-9H2,1-3H3