[2-(1,3-benzothiazol-2-yl)phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H12F3NO2S MolecularWeight: 399.38569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H12F3NO2S/c22-21(23,24)14-11-9-13(10-12-14)20(26)27-17-7-3-1-5-15(17)19-25-16-6-2-4-8-18(16)28-19/h1-12H