ethyl 5-cyano-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclopentylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCC2)C

InChI

InChI=1S/C17H21N3O3S/c1-3-23-17(22)14-8-12(9-18)16(19-11(14)2)24-10-15(21)20-13-6-4-5-7-13/h8,13H,3-7,10H2,1-2H3,(H,20,21)