4-oxidanylidene-4-sulfanyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-sulfanyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid Openeye Name: 4-oxo-4-sulfanyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid CAS Name: 4-mercapto-4-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid IUPAC Name: 4-oxo-4-sulfanyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid Traditional Name: 4-keto-4-mercapto-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butyric acid Formula: C12H8F3NO3S2 MolecularWeight: 335.32203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C12H8F3NO3S2/c13-12(14,15)5-1-2-8-7(3-5)16-10(21-8)6(11(18)19)4-9(17)20/h1-3,6H,4H2,(H,17,20)(H,18,19)