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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

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