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

Systemtic Name: ethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(cyclohexylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-3-24-18(23)15-9-13(10-19)17(20-12(15)2)25-11-16(22)21-14-7-5-4-6-8-14/h9,14H,3-8,11H2,1-2H3,(H,21,22)