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

Systemtic Name: 2-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(1,1-dioxo-3-thiolanyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(1,1-diketothiolan-3-yl)acetyl]amino]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1CC(=O)NC2=CC=CC=C2C(=O)O

InChI

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