ethyl 6-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)N2CCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)N2CCCCCC2)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-19(24)16-11-15(12-20)17(21-13(16)2)26-14(3)18(23)22-9-7-5-6-8-10-22/h11,14H,4-10H2,1-3H3