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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C22H23NO2S2 MolecularWeight: 397.55352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H23NO2S2/c1-26-17-11-9-15(10-12-17)21(23-13-5-4-7-18(23)22(24)25)20-14-16-6-2-3-8-19(16)27-20/h2-3,6,8-12,14,18,21H,4-5,7,13H2,1H3,(H,24,25)