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

Systemtic Name: 3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanoylamino]benzoic acid Openeye Name: 3-[2-(4,5-dihydrothiazol-2-ylsulfanyl)butanoylamino]benzoic acid CAS Name: 3-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanoylamino]benzoic acid Traditional Name: 3-[2-(2-thiazolin-2-ylthio)butanoylamino]benzoic acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S2/c1-2-11(21-14-15-6-7-20-14)12(17)16-10-5-3-4-9(8-10)13(18)19/h3-5,8,11H,2,6-7H2,1H3,(H,16,17)(H,18,19)