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

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

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-23-15-8-6-13(7-9-15)17(16-5-3-11-22-16)19-10-2-4-14(12-19)18(20)21/h3,5-9,11,14,17H,2,4,10,12H2,1H3,(H,20,21)