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

Systemtic Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]benzoic acid Openeye Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]benzoic acid CAS Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]benzoic acid IUPAC Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]benzoic acid Traditional Name: 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]benzoic acid Formula: C15H8F3NO2S2 MolecularWeight: 355.35473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C15H8F3NO2S2/c16-15(17,18)8-5-6-12-10(7-8)19-14(23-12)22-11-4-2-1-3-9(11)13(20)21/h1-7H,(H,20,21)