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

Systemtic Name: [(2S)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(4-acetamidophenyl)-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-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)C2=CC=C(C=C2)NC(=O)C)Cl)C

InChI

InChI=1S/C19H19ClN2O4/c1-10-9-11(2)21-18(20)16(10)19(25)26-12(3)17(24)14-5-7-15(8-6-14)22-13(4)23/h5-9,12H,1-4H3,(H,22,23)/t12-/m0/s1