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

Systemtic Name: 3-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(3S)-1,1-dioxo-3-thiolanyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(3S)-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(=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1CC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H15NO5S/c15-12(6-9-4-5-20(18,19)8-9)14-11-3-1-2-10(7-11)13(16)17/h1-3,7,9H,4-6,8H2,(H,14,15)(H,16,17)/t9-/m1/s1