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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CN=CC=C3)CSCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)C3=CN=CC=C3)CSCC(=O)O

InChI

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