4-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzoic acid

Systemtic Name: 4-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]benzoic acid Openeye Name: 4-[(4-cyano-3-oxo-isothiazol-5-yl)amino]benzoic acid CAS Name: 4-[(4-cyano-3-oxo-5-isothiazolyl)amino]benzoic acid IUPAC Name: 4-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]benzoic acid Traditional Name: 4-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]benzoic acid Formula: C11H7N3O3S MolecularWeight: 261.25658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C11H7N3O3S/c12-5-8-9(15)14-18-10(8)13-7-3-1-6(2-4-7)11(16)17/h1-4,13H,(H,14,15)(H,16,17)