[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C21H22N2O4S/c1-14-8-10-15(11-9-14)28-13-19(25)27-12-18(24)23-17-7-5-4-6-16(17)22-20(26)21(23,2)3/h4-11H,12-13H2,1-3H3,(H,22,26)