2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid CAS Name: 2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]propanoic acid IUPAC Name: 2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]propionic acid Formula: C12H10F3NO2S2 MolecularWeight: 321.33851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)C(F)(F)F

InChI

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