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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]benzoic acid Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]benzoic acid CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]benzoic acid Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-carbamoyl]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

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