1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]pipecolinic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H23N3O2S/c1-2-14-10-11-16(22-13-14)19(24-12-6-5-8-17(24)21(25)26)20-23-15-7-3-4-9-18(15)27-20/h3-4,7,9-11,13,17,19H,2,5-6,8,12H2,1H3,(H,25,26)