[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-13(2)20(3,12-22)24-17(25)11-27-19(26)16-5-4-10-23-18(16)28-15-8-6-14(21)7-9-15/h4-10,13H,11H2,1-3H3,(H,24,25)/t20-/m0/s1