3-sulfanylpropyl 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3-sulfanylpropyl 4-(3-chlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-sulfanylpropyl 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 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 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-mercaptopropyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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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)OCCCS

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-10-14(17(21)24-7-4-8-25)15(12-5-3-6-13(18)9-12)16(20(22)23)11(2)19-10/h3,5-6,9,15,19,25H,4,7-8H2,1-2H3