(3-oxidanylidene-1-sulfanyl-butyl) 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (3-oxidanylidene-1-sulfanyl-butyl) 2,6-dimethyl-4-(2-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: (3-oxo-1-sulfanyl-butyl) 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 (1-mercapto-3-oxobutyl) ester IUPAC Name: (3-oxo-1-sulfanylbutyl) 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 (3-keto-1-mercapto-butyl) ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-10-7-5-6-8-14(10)17-16(19(23)26-15(27)9-11(2)22)12(3)20-13(4)18(17)21(24)25/h5-8,15,17,20,27H,9H2,1-4H3