[(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC(=O)NC2CCCC2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)Cl)C

InChI

InChI=1S/C17H22ClN3O4/c1-9-8-10(2)19-14(18)13(9)16(23)25-11(3)15(22)21-17(24)20-12-6-4-5-7-12/h8,11-12H,4-7H2,1-3H3,(H2,20,21,22,24)/t11-/m0/s1