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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-2-thienyl)methyl]nipecotic acid Formula: C20H21NO2S2 MolecularWeight: 371.51624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C20H21NO2S2/c1-13-8-10-24-19(13)18(21-9-4-5-14(11-21)20(22)23)16-12-25-17-7-3-2-6-15(16)17/h2-3,6-8,10,12,14,18H,4-5,9,11H2,1H3,(H,22,23)