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

Systemtic Name: (3-oxidanylidene-1-sulfanyl-butyl) 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: (3-oxo-1-sulfanyl-butyl) 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid (1-mercapto-3-oxobutyl) ester IUPAC Name: (3-oxo-1-sulfanylbutyl) 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid (3-keto-1-mercapto-butyl) ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)Cl)C(=O)OC(CC(=O)C)S

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)Cl)C(=O)OC(CC(=O)C)S

InChI

InChI=1S/C18H19ClN2O5S/c1-9(22)7-14(27)26-18(23)15-10(2)20-11(3)17(21(24)25)16(15)12-5-4-6-13(19)8-12/h4-6,8,14,16,20,27H,7H2,1-3H3