2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylquinazolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylquinazolin-4-yl]sulfanylethanoate Openeye Name: 2-[2-(2-oxido-2-oxo-ethyl)sulfanylquinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-[(2-oxido-2-oxoethyl)thio]-4-quinazolinyl]thio]acetate IUPAC Name: 2-[2-(2-oxido-2-oxoethyl)sulfanylquinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[(2-keto-2-oxido-ethyl)thio]quinazolin-4-yl]thio]acetate Formula: C12H8N2O4S2-2 MolecularWeight: 308.33292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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