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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CSC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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