ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SC)C

InChI

InChI=1S/C17H17N3O4S/c1-4-24-17(21)14-10(2)19-16(25-3)13(9-18)15(14)11-6-5-7-12(8-11)20(22)23/h5-8,15,19H,4H2,1-3H3