[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)NC(=O)NC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O[C@@H](C)C(=O)NC(=O)NC)C

InChI

InChI=1S/C17H19N3O4/c1-9-5-6-14-12(7-9)13(8-10(2)19-14)16(22)24-11(3)15(21)20-17(23)18-4/h5-8,11H,1-4H3,(H2,18,20,21,23)/t11-/m0/s1