1-[1,3-benzothiazol-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(3-pyridyl)methyl]pipecolinic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CN=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CN=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O2S/c23-19(24)15-8-3-4-11-22(15)17(13-6-5-10-20-12-13)18-21-14-7-1-2-9-16(14)25-18/h1-2,5-7,9-10,12,15,17H,3-4,8,11H2,(H,23,24)