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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C2CCS(=O)(=O)C2)C(=O)O

InChI

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