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

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 2-(m-tolylmethylsulfanyl)acetate CAS Name: 2-[(3-methylphenyl)methylthio]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-[(3-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-methylbenzyl)thio]acetic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-15-7-6-8-16(11-15)13-29-14-20(26)28-12-19(25)24-18-10-5-4-9-17(18)23-21(27)22(24,2)3/h4-11H,12-14H2,1-3H3,(H,23,27)