1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-ethyl-2-pyridyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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