2-(7-imidazol-1-yl-6-methylsulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(7-imidazol-1-yl-6-methylsulfonyl-3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(7-imidazol-1-yl-6-methylsulfonyl-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-oxo-acetic acid CAS Name: 2-[7-(1-imidazolyl)-6-methylsulfonyl-3-oxo-2,4-dihydroquinoxalin-1-yl]-2-oxoacetic acid IUPAC Name: 2-(7-imidazol-1-yl-6-methylsulfonyl-3-oxo-2,4-dihydroquinoxalin-1-yl)-2-oxoacetic acid Traditional Name: 2-(7-imidazol-1-yl-3-keto-6-mesyl-2,4-dihydroquinoxalin-1-yl)-2-keto-acetic acid Formula: C14H12N4O6S MolecularWeight: 364.33328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1N3C=CN=C3)N(CC(=O)N2)C(=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1N3C=CN=C3)N(CC(=O)N2)C(=O)C(=O)O

InChI

InChI=1S/C14H12N4O6S/c1-25(23,24)11-4-8-9(5-10(11)17-3-2-15-7-17)18(6-12(19)16-8)13(20)14(21)22/h2-5,7H,6H2,1H3,(H,16,19)(H,21,22)