2-[2-[[2-(4-methylsulfanylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(4-methylsulfanylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[2-[[2-(4-methylsulfanylphenyl)sulfanylphenoxy]methyl]-1-piperidyl]acetic acid CAS Name: 2-[2-[[2-[[4-(methylthio)phenyl]thio]phenoxy]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[2-[[2-(4-methylsulfanylphenyl)sulfanylphenoxy]methyl]piperidin-1-yl]acetic acid Traditional Name: 2-[2-[[2-[[4-(methylthio)phenyl]thio]phenoxy]methyl]piperidino]acetic acid Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SC2=CC=CC=C2OCC3CCCCN3CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)SC2=CC=CC=C2OCC3CCCCN3CC(=O)O

InChI

InChI=1S/C21H25NO3S2/c1-26-17-9-11-18(12-10-17)27-20-8-3-2-7-19(20)25-15-16-6-4-5-13-22(16)14-21(23)24/h2-3,7-12,16H,4-6,13-15H2,1H3,(H,23,24)