3-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoic acid

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoic acid Openeye Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoic acid Traditional Name: 3-[2-(1,3-benzothiazol-2-ylthio)butanoylamino]benzoic acid Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c1-2-14(24-18-20-13-8-3-4-9-15(13)25-18)16(21)19-12-7-5-6-11(10-12)17(22)23/h3-10,14H,2H2,1H3,(H,19,21)(H,22,23)