2-[[3-[(4-pyridin-2-ylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-[(4-pyridin-2-ylphenyl)methoxy]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-[[4-(2-pyridyl)phenyl]methoxy]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-[[4-(2-pyridinyl)phenyl]methoxy]phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-[(4-pyridin-2-ylphenyl)methoxy]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-[4-(2-pyridyl)benzyl]oxybenzyl]thio]acetic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)CSCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(C=C2)COC3=CC=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C21H19NO3S/c23-21(24)15-26-14-17-4-3-5-19(12-17)25-13-16-7-9-18(10-8-16)20-6-1-2-11-22-20/h1-12H,13-15H2,(H,23,24)