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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NCCS2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=NCCS2

InChI

InChI=1S/C13H13ClN2O3S2/c1-7(21-13-15-4-5-20-13)11(17)16-10-6-8(12(18)19)2-3-9(10)14/h2-3,6-7H,4-5H2,1H3,(H,16,17)(H,18,19)