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

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,6-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C

InChI

InChI=1S/C18H21N3O4/c1-5-19-18(24)21-16(22)12(4)25-17(23)14-9-11(3)20-15-7-6-10(2)8-13(14)15/h6-9,12H,5H2,1-4H3,(H2,19,21,22,24)/t12-/m0/s1