2-[2-(1,3-benzothiazol-2-yl)-4-ethanoyl-3-oxidanylidene-1H-pyrazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-4-ethanoyl-3-oxidanylidene-1H-pyrazol-5-yl]ethanoic acid Openeye Name: 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid CAS Name: 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid IUPAC Name: 2-[4-acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid Traditional Name: 2-[4-acetyl-1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

CC(=O)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)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/h2-5,16H,6H2,1H3,(H,19,20)