2-[1-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-oxidanidyl-pyrazol-3-yl]ethanoate

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-oxidanidyl-pyrazol-3-yl]ethanoate Openeye Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-oxido-pyrazol-3-yl]acetate CAS Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-oxido-3-pyrazolyl]acetate IUPAC Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-oxidopyrazol-3-yl]acetate Traditional Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-oxido-pyrazol-3-yl]acetate Formula: C14H9N3O4S-2 MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=C1CC(=O)[O-])C2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CC(=O)C1=C(N(N=C1CC(=O)[O-])C2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C14H11N3O4S/c1-7(18)12-9(6-11(19)20)16-17(13(12)21)14-15-8-4-2-3-5-10(8)22-14/h2-5,21H,6H2,1H3,(H,19,20)/p-2