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

Systemtic Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid Openeye Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid CAS Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid IUPAC Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butanoic acid Traditional Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butyric acid Formula: C12H10F3NO2S MolecularWeight: 289.27351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CCCC(=O)O

InChI

InChI=1S/C12H10F3NO2S/c13-12(14,15)7-4-5-9-8(6-7)16-10(19-9)2-1-3-11(17)18/h4-6H,1-3H2,(H,17,18)