[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C22H22N2O3/c1-12-6-7-13(2)18(10-12)21(25)16(5)27-22(26)17-8-9-19-20(11-17)24-15(4)14(3)23-19/h6-11,16H,1-5H3/t16-/m0/s1