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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl(m-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl(m-tolyl)methyl]pipecolinic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-14-7-6-8-15(13-14)19(23-12-5-4-10-17(23)21(24)25)20-22-16-9-2-3-11-18(16)26-20/h2-3,6-9,11,13,17,19H,4-5,10,12H2,1H3,(H,24,25)