1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-3-carboxylic acid Openeye Name: 1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-6-yl(oxo)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(1,3-benzothiazole-6-carbonyl)nipecotic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c17-13(16-5-1-2-10(7-16)14(18)19)9-3-4-11-12(6-9)20-8-15-11/h3-4,6,8,10H,1-2,5,7H2,(H,18,19)