2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetate Formula: C12H8N3O3S- MolecularWeight: 274.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CC(=O)[O-]

InChI

InChI=1S/C12H9N3O3S/c16-10-5-7(6-11(17)18)14-15(10)12-13-8-3-1-2-4-9(8)19-12/h1-5,14H,6H2,(H,17,18)/p-1