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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-4-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(3-methyl-4-pyridyl)methyl]pipecolinic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-13-12-21-10-9-14(13)18(23-11-5-4-7-16(23)20(24)25)19-22-15-6-2-3-8-17(15)26-19/h2-3,6,8-10,12,16,18H,4-5,7,11H2,1H3,(H,24,25)