ethyl 6-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H22ClN3O4S/c1-3-31-23(30)18-12-16(13-25)20(26-14(18)2)32-19-6-4-5-11-27(22(19)29)21(28)15-7-9-17(24)10-8-15/h7-10,12,19H,3-6,11H2,1-2H3