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

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)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-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CSC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CSC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N2O5S/c1-21(2)20(26)22-16-6-4-5-7-17(16)23(21)18(24)12-28-19(25)13-29-15-10-8-14(27-3)9-11-15/h4-11H,12-13H2,1-3H3,(H,22,26)