1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c22-16-7-5-14(6-8-16)20(25)24-11-9-15(10-12-24)21(26)27-13-19-23-17-3-1-2-4-18(17)28-19/h1-8,15H,9-13H2