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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-thienyl)methyl]pipecolinic acid Formula: C18H21NO2S2 MolecularWeight: 347.49484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H21NO2S2/c1-22-15-7-5-13(6-8-15)17(14-9-11-23-12-14)19-10-3-2-4-16(19)18(20)21/h5-9,11-12,16-17H,2-4,10H2,1H3,(H,20,21)