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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-thienyl)methyl]isonipecotic acid Formula: C18H21NO2S2 MolecularWeight: 347.49484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21NO2S2/c1-22-15-6-4-13(5-7-15)17(16-3-2-12-23-16)19-10-8-14(9-11-19)18(20)21/h2-7,12,14,17H,8-11H2,1H3,(H,20,21)