4-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(1,1-dioxo-3-thiolanyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(1,1-diketothiolan-3-yl)thio]acetyl]amino]benzoic acid Formula: C13H15NO5S2 MolecularWeight: 329.3919

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO5S2/c15-12(7-20-11-5-6-21(18,19)8-11)14-10-3-1-9(2-4-10)13(16)17/h1-4,11H,5-8H2,(H,14,15)(H,16,17)