2-[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]thio]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-11(25-15-9-5-2-6-12(15)18(23)24)17(22)20-10-16(21)19-13-7-3-4-8-14(13)20/h2-9,11H,10H2,1H3,(H,19,21)(H,23,24)/t11-/m0/s1