(phenylmethyl) 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C21H19F3N2O2S MolecularWeight: 420.44797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19F3N2O2S/c22-21(23,24)16-6-7-18-17(12-16)25-19(29-18)15-8-10-26(11-9-15)20(27)28-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2