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

Systemtic Name: ethyl 6-[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCCCC2C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCCC[C@@H]2C(=O)N)C

InChI

InChI=1S/C18H22N4O4S/c1-3-26-18(25)13-8-12(9-19)17(21-11(13)2)27-10-15(23)22-7-5-4-6-14(22)16(20)24/h8,14H,3-7,10H2,1-2H3,(H2,20,24)/t14-/m1/s1