1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO2S2/c1-22-15-8-6-13(7-9-15)17(16-5-3-11-23-16)19-10-2-4-14(12-19)18(20)21/h3,5-9,11,14,17H,2,4,10,12H2,1H3,(H,20,21)