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

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-ethyl-2-thienyl)methyl]pipecolinic acid Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H23NO2S2/c1-2-14-10-11-19(26-14)20(22-12-6-5-8-17(22)21(23)24)16-13-25-18-9-4-3-7-15(16)18/h3-4,7,9-11,13,17,20H,2,5-6,8,12H2,1H3,(H,23,24)