[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C19H17N3O3/c1-12-4-3-5-15(10-12)22-18(23)13(2)25-19(24)14-6-7-16-17(11-14)21-9-8-20-16/h3-11,13H,1-2H3,(H,22,23)/t13-/m0/s1