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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,3-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,3-dimethoxyphenyl)methyl]pipecolinic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-27-17-11-7-8-14(20(17)28-2)19(24-13-6-5-10-16(24)22(25)26)21-23-15-9-3-4-12-18(15)29-21/h3-4,7-9,11-12,16,19H,5-6,10,13H2,1-2H3,(H,25,26)