2-[(7-bromanyl-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-5-yl)methylsulfanyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(7-bromanyl-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-5-yl)methylsulfanyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-5-yl)methylsulfanyl]-2-oxo-acetic acid CAS Name: 2-[(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-5-yl)methylthio]-2-oxoacetic acid IUPAC Name: 2-[(7-bromo-3-oxo-2,4-dihydro-1H-quinoxalin-5-yl)methylsulfanyl]-2-oxoacetic acid Traditional Name: 2-[(7-bromo-3-keto-2,4-dihydro-1H-quinoxalin-5-yl)methylthio]-2-keto-acetic acid Formula: C11H9BrN2O4S MolecularWeight: 345.16916

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1)C=C(C=C2CSC(=O)C(=O)O)Br

Isomeric SMILES

C1C(=O)NC2=C(N1)C=C(C=C2CSC(=O)C(=O)O)Br

InChI

InChI=1S/C11H9BrN2O4S/c12-6-1-5(4-19-11(18)10(16)17)9-7(2-6)13-3-8(15)14-9/h1-2,13H,3-4H2,(H,14,15)(H,16,17)