4,5-dimethoxy-2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: 4,5-dimethoxy-2-[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoate Openeye Name: 4,5-dimethoxy-2-[[2-(2-oxido-2-oxo-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(2-oxido-2-oxoethyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4,5-dimethoxy-2-[[2-(2-oxido-2-oxoethyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(2-keto-2-oxido-ethyl)thio]acetyl]amino]-4,5-dimethoxy-benzoate Formula: C13H13NO7S-2 MolecularWeight: 327.30982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)CSCC(=O)[O-])OC

InChI

InChI=1S/C13H15NO7S/c1-20-9-3-7(13(18)19)8(4-10(9)21-2)14-11(15)5-22-6-12(16)17/h3-4H,5-6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/p-2