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

Systemtic Name: 2-chloranyl-5-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-(4,5-dihydrothiazol-2-ylsulfanyl)propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-(4,5-dihydrothiazol-2-ylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-(2-thiazolin-2-ylthio)propanoylamino]benzoic acid Formula: C13H13ClN2O3S2 MolecularWeight: 344.83692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O3S2/c14-10-2-1-8(7-9(10)12(18)19)16-11(17)3-5-20-13-15-4-6-21-13/h1-2,7H,3-6H2,(H,16,17)(H,18,19)