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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC2CCCCC2)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-19(24)16-10-14(11-20)18(21-12(16)2)26-13(3)17(23)22-15-8-6-5-7-9-15/h10,13,15H,4-9H2,1-3H3,(H,22,23)/t13-/m1/s1