1,3-benzothiazol-2-ylmethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c26-22(11-10-17-6-2-1-3-7-17)25-14-12-18(13-15-25)23(27)28-16-21-24-19-8-4-5-9-20(19)29-21/h1-11,18H,12-16H2/b11-10+