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

Systemtic Name: (4-oxidanylidene-1-sulfanyl-pentyl) 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: (4-oxo-1-sulfanyl-pentyl) 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-4-oxopentyl) ester IUPAC Name: (4-oxo-1-sulfanylpentyl) 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 (4-keto-1-mercapto-pentyl) ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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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(CCC(=O)C)S

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S/c1-10(23)7-8-15(28)27-19(24)16-11(2)21-12(3)18(22(25)26)17(16)13-5-4-6-14(20)9-13/h4-6,9,15,17,21,28H,7-8H2,1-3H3