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

Systemtic Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-furyl-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-furanyl-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-furyl-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-23-15-6-4-13(5-7-15)17(16-3-2-12-22-16)19-10-8-14(9-11-19)18(20)21/h2-7,12,14,17H,8-11H2,1H3,(H,20,21)