4-[2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(3-oxo-4H-quinoxalin-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-keto-4H-quinoxalin-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O4S/c21-14(18-11-7-5-10(6-8-11)17(23)24)9-25-16-15(22)19-12-3-1-2-4-13(12)20-16/h1-8H,9H2,(H,18,21)(H,19,22)(H,23,24)