2-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(4-fluoro-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(4-fluoro-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C11H8FNO3S2 MolecularWeight: 285.314523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)C(CC(=O)S)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)C(CC(=O)S)C(=O)O)F

InChI

InChI=1S/C11H8FNO3S2/c12-6-2-1-3-7-9(6)13-10(18-7)5(11(15)16)4-8(14)17/h1-3,5H,4H2,(H,14,17)(H,15,16)