2-[1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl]thio]propionic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC(C)C(=O)O

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC(C)C(=O)O

InChI

InChI=1S/C16H20N2O4S/c1-9(23-10(2)14(20)21)13(19)18-12-8-6-5-7-11(12)17-15(22)16(18,3)4/h5-10H,1-4H3,(H,17,22)(H,20,21)