2-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)ethanoic acid

Systemtic Name: 2-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)ethanoic acid Openeye Name: 2-(2-thioxo-3H-1,3-benzothiazol-5-yl)acetic acid CAS Name: 2-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)acetic acid IUPAC Name: 2-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)acetic acid Traditional Name: 2-(2-thioxo-3H-1,3-benzothiazol-5-yl)acetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)O)NC(=S)S2

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)O)NC(=S)S2

InChI

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