2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C11H7N3O3S MolecularWeight: 261.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N3O3S/c15-9-5-7(10(16)17)13-14(9)11-12-6-3-1-2-4-8(6)18-11/h1-5,13H,(H,16,17)