[(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: [(1R)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid [(1R)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O4S/c1-13(28-18(25)12-29-17-11-7-4-8-14(17)22)19(26)24-16-10-6-5-9-15(16)23-20(27)21(24,2)3/h4-11,13H,12H2,1-3H3,(H,23,27)/t13-/m1/s1