1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-6-ylcarbonyl)piperidine-4-carboxylic acid Openeye Name: 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzothiazol-6-yl(oxo)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1,3-benzothiazole-6-carbonyl)isonipecotic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C14H14N2O3S/c17-13(16-5-3-9(4-6-16)14(18)19)10-1-2-11-12(7-10)20-8-15-11/h1-2,7-9H,3-6H2,(H,18,19)