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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)methyl]pipecolinic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O)C

InChI

InChI=1S/C22H24N2O2S/c1-14-10-11-16(15(2)13-14)20(24-12-6-5-8-18(24)22(25)26)21-23-17-7-3-4-9-19(17)27-21/h3-4,7,9-11,13,18,20H,5-6,8,12H2,1-2H3,(H,25,26)