2-(1,3-benzothiazol-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)