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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]benzoic acid Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12N2O3S2/c19-14(17-11-5-3-4-10(8-11)15(20)21)9-22-16-18-12-6-1-2-7-13(12)23-16/h1-8H,9H2,(H,17,19)(H,20,21)