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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-3-24-17(21)16-14(9-25)19-10(2)13(8-18)15(16)11-5-4-6-12(7-11)20(22)23/h4-7,15,19,25H,3,9H2,1-2H3