2-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid CAS Name: 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-methylamino]-4-mercaptobutanoic acid IUPAC Name: 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl-methylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[(2,3-diketo-1,4-dihydroquinoxalin-6-yl)sulfonyl-methyl-amino]-4-mercapto-butyric acid Formula: C13H15N3O6S2 MolecularWeight: 373.4047

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCS)C(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2

Isomeric SMILES

CN(C(CCS)C(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2

InChI

InChI=1S/C13H15N3O6S2/c1-16(10(4-5-23)13(19)20)24(21,22)7-2-3-8-9(6-7)15-12(18)11(17)14-8/h2-3,6,10,23H,4-5H2,1H3,(H,14,17)(H,15,18)(H,19,20)