(3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(1,3-benzothiazol-2-yl)nipecotic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-12(17)9-4-3-7-15(8-9)13-14-10-5-1-2-6-11(10)18-13/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)/t9-/m0/s1