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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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