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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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