1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-phenyl-1-imidazo[2,1-b][1,3]benzothiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]isonipecotic acid Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=C(N=C3N2C4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H21N3O2S/c26-21(27)16-10-12-24(13-11-16)14-18-20(15-6-2-1-3-7-15)23-22-25(18)17-8-4-5-9-19(17)28-22/h1-9,16H,10-14H2,(H,26,27)