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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC

InChI

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