4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(1,1-dioxo-3-thiolanyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1,1-diketothiolane-3-carbonyl)amino]methyl]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO5S/c15-12(11-5-6-20(18,19)8-11)14-7-9-1-3-10(4-2-9)13(16)17/h1-4,11H,5-8H2,(H,14,15)(H,16,17)