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

Systemtic Name: ethyl 5-cyano-2-(ethanoylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(acetylsulfanylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-[(acetylthio)methyl]-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetylsulfanylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-[(acetylthio)methyl]-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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)CSC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-4-27-19(24)18-16(10-28-12(3)23)21-11(2)15(9-20)17(18)13-6-5-7-14(8-13)22(25)26/h5-8,17,21H,4,10H2,1-3H3