2-[3-(carboxysulfanylmethyl)quinoxalin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-(carboxysulfanylmethyl)quinoxalin-2-yl]sulfanylethanoate Openeye Name: 2-[3-(carboxysulfanylmethyl)quinoxalin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(carboxythio)methyl]-2-quinoxalinyl]thio]acetate IUPAC Name: 2-[3-(carboxysulfanylmethyl)quinoxalin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[(carboxythio)methyl]quinoxalin-2-yl]thio]acetate Formula: C12H9N2O4S2- MolecularWeight: 309.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)[O-])CSC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SCC(=O)[O-])CSC(=O)O

InChI

InChI=1S/C12H10N2O4S2/c15-10(16)6-19-11-9(5-20-12(17)18)13-7-3-1-2-4-8(7)14-11/h1-4H,5-6H2,(H,15,16)(H,17,18)/p-1