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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H28N2O5S/c1-24(2,3)20(28)14-32-22(30)16-10-6-9-13-19(16)33-15-21(29)27-18-12-8-7-11-17(18)26-23(31)25(27,4)5/h6-13H,14-15H2,1-5H3,(H,26,31)