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

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C20H21NO2S2 MolecularWeight: 371.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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