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

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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