2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[(1,1-dioxothiolane-3-carbonyl)-methyl-amino]benzoic acid CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-oxomethyl]-methylamino]benzoic acid IUPAC Name: 2-[(1,1-dioxothiolane-3-carbonyl)-methylamino]benzoic acid Traditional Name: 2-[(1,1-diketothiolane-3-carbonyl)-methyl-amino]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H15NO5S/c1-14(11-5-3-2-4-10(11)13(16)17)12(15)9-6-7-20(18,19)8-9/h2-5,9H,6-8H2,1H3,(H,16,17)