2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate

Systemtic Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate Openeye Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]butanoate IUPAC Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]butyrate Formula: C12H9F3NO2S2- MolecularWeight: 320.33057

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC(C(=O)[O-])SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3NO2S2/c1-2-8(10(17)18)19-11-16-7-5-6(12(13,14)15)3-4-9(7)20-11/h3-5,8H,2H2,1H3,(H,17,18)/p-1