2-(4-sulfanyl-1,3-benzothiazol-2-yl)ethanoic acid

Systemtic Name: 2-(4-sulfanyl-1,3-benzothiazol-2-yl)ethanoic acid Openeye Name: 2-(4-sulfanyl-1,3-benzothiazol-2-yl)acetic acid CAS Name: 2-(4-mercapto-1,3-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(4-sulfanyl-1,3-benzothiazol-2-yl)acetic acid Traditional Name: 2-(4-mercapto-1,3-benzothiazol-2-yl)acetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S)N=C(S2)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)S)N=C(S2)CC(=O)O

InChI

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