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

Systemtic Name: ethyl 5-cyano-6-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(=O)NC2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC(=O)NC2CCCCC2)C

InChI

InChI=1S/C19H24N4O4S/c1-3-27-18(25)15-9-13(10-20)17(21-12(15)2)28-11-16(24)23-19(26)22-14-7-5-4-6-8-14/h9,14H,3-8,11H2,1-2H3,(H2,22,23,24,26)