3-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 3-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoylamino]benzoic acid Openeye Name: 3-[3-(4,5-dihydrothiazol-2-ylsulfanyl)propanoylamino]benzoic acid CAS Name: 3-[[3-(4,5-dihydrothiazol-2-ylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoylamino]benzoic acid Traditional Name: 3-[3-(2-thiazolin-2-ylthio)propanoylamino]benzoic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CSC(=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S2/c16-11(4-6-19-13-14-5-7-20-13)15-10-3-1-2-9(8-10)12(17)18/h1-3,8H,4-7H2,(H,15,16)(H,17,18)