(2R)-2-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(2,3-diketo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-(methylthio)butyrate Formula: C13H14N3O6S2- MolecularWeight: 372.39676

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)NC(=O)C(=O)N2

InChI

InChI=1S/C13H15N3O6S2/c1-23-5-4-9(13(19)20)16-24(21,22)7-2-3-8-10(6-7)15-12(18)11(17)14-8/h2-3,6,9,16H,4-5H2,1H3,(H,14,17)(H,15,18)(H,19,20)/p-1/t9-/m1/s1