2-(5-fluoranyl-3-oxidanylidene-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid

Systemtic Name: 2-(5-fluoranyl-3-oxidanylidene-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid Openeye Name: 2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid CAS Name: 2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)-4-methylpentanoic acid IUPAC Name: 2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)-4-methylpentanoic acid Traditional Name: 2-(5-fluoro-3-keto-1,2-benzothiazol-2-yl)-4-methyl-valeric acid Formula: C13H14FNO3S MolecularWeight: 283.318563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)C=CC(=C2)F

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C13H14FNO3S/c1-7(2)5-10(13(17)18)15-12(16)9-6-8(14)3-4-11(9)19-15/h3-4,6-7,10H,5H2,1-2H3,(H,17,18)