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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-thienyl)methyl]isonipecotic acid Formula: C18H21NO2S2 MolecularWeight: 347.49484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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