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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(1H-indol-3-yl)-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-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)C2=CNC3=CC=CC=C32)Cl)C

InChI

InChI=1S/C19H17ClN2O3/c1-10-8-11(2)22-18(20)16(10)19(24)25-12(3)17(23)14-9-21-15-7-5-4-6-13(14)15/h4-9,12,21H,1-3H3/t12-/m0/s1