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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(S2)Br)C3=CC4=CC=CC=C4S3

InChI

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