2-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylethanoylamino]benzoate

Systemtic Name: 2-[2-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylethanoylamino]benzoate Openeye Name: 2-[[2-(3-oxido-3-oxo-propyl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(3-oxido-3-oxopropyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(3-oxido-3-oxopropyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-keto-3-oxido-propyl)thio]acetyl]amino]benzoate Formula: C12H11NO5S-2 MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C12H13NO5S/c14-10(7-19-6-5-11(15)16)13-9-4-2-1-3-8(9)12(17)18/h1-4H,5-7H2,(H,13,14)(H,15,16)(H,17,18)/p-2