5-methyl-2-[3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid

Systemtic Name: 5-methyl-2-[3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid Openeye Name: 5-methyl-2-[3-(2-oxothiazolidin-3-yl)propanoylamino]benzoic acid CAS Name: 5-methyl-2-[[1-oxo-3-(2-oxo-3-thiazolidinyl)propyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(2-ketothiazolidin-3-yl)propanoylamino]-5-methyl-benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCN2CCSC2=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCN2CCSC2=O)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-9-2-3-11(10(8-9)13(18)19)15-12(17)4-5-16-6-7-21-14(16)20/h2-3,8H,4-7H2,1H3,(H,15,17)(H,18,19)