1-[1-benzothiophen-2-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-bromanylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(5-bromo-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(5-bromothiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C19H18BrNO2S2 MolecularWeight: 436.38572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3

InChI

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