1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]pipecolinic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19BrN2O2S/c21-14-8-2-1-7-13(14)18(23-12-6-5-10-16(23)20(24)25)19-22-15-9-3-4-11-17(15)26-19/h1-4,7-9,11,16,18H,5-6,10,12H2,(H,24,25)