1-[1,3-benzothiazol-2-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-(5-bromo-2-thienyl)methyl]nipecotic acid Formula: C18H17BrN2O2S2 MolecularWeight: 437.37378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(S2)Br)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C18H17BrN2O2S2/c19-15-8-7-14(24-15)16(21-9-3-4-11(10-21)18(22)23)17-20-12-5-1-2-6-13(12)25-17/h1-2,5-8,11,16H,3-4,9-10H2,(H,22,23)