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

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-thienyl)methyl]nipecotic acid Formula: C19H18BrNO2S2 MolecularWeight: 436.38572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(S2)Br)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(S2)Br)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H18BrNO2S2/c20-17-8-7-16(25-17)18(21-9-3-4-12(10-21)19(22)23)14-11-24-15-6-2-1-5-13(14)15/h1-2,5-8,11-12,18H,3-4,9-10H2,(H,22,23)