1-[1-benzothiophen-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(3-thienyl)methyl]isonipecotic acid Formula: C19H19NO2S2 MolecularWeight: 357.48966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C19H19NO2S2/c21-19(22)13-5-8-20(9-6-13)18(14-7-10-23-11-14)16-12-24-17-4-2-1-3-15(16)17/h1-4,7,10-13,18H,5-6,8-9H2,(H,21,22)