3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanyl-propanoic acid

Systemtic Name: 3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanyl-propanoic acid Openeye Name: 3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)S)C2=CC=CC=N2

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)S)C2=CC=CC=N2

InChI

InChI=1S/C17H20N2O3S/c1-19(16-4-2-3-9-18-16)10-11-22-14-7-5-13(6-8-14)12-15(23)17(20)21/h2-9,15,23H,10-12H2,1H3,(H,20,21)