[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-12-9-13(2)19(14(3)10-12)24-20(25)15(4)27-21(26)16-5-6-17-18(11-16)23-8-7-22-17/h5-11,15H,1-4H3,(H,24,25)/t15-/m0/s1