1-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid CAS Name: 1-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)nipecotic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)NC2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-12(19)9-4-3-7-17(8-9)14(20)16-13-15-10-5-1-2-6-11(10)21-13/h1-2,5-6,9H,3-4,7-8H2,(H,18,19)(H,15,16,20)