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

Systemtic Name: 3-sulfanylpropyl 2,6-dimethyl-4-(3-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-sulfanylpropyl 2,6-dimethyl-4-(m-tolyl)-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2,6-dimethyl-4-(3-methylphenyl)-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(m-tolyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-mercaptopropyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCCS

Isomeric SMILES

CC1=CC=CC(=C1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCCS

InChI

InChI=1S/C18H22N2O4S/c1-11-6-4-7-14(10-11)16-15(18(21)24-8-5-9-25)12(2)19-13(3)17(16)20(22)23/h4,6-7,10,16,19,25H,5,8-9H2,1-3H3