5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[2-[6-(methylamino)-2-pyridyl]ethoxy]phenyl]sulfanyl-4-oxo-pentanoic acid CAS Name: 5-[[3-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]thio]-4-oxopentanoic acid IUPAC Name: 5-[3-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]sulfanyl-4-oxopentanoic acid Traditional Name: 4-keto-5-[[3-[2-[6-(methylamino)-2-pyridyl]ethoxy]phenyl]thio]valeric acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC(=CC=C2)SCC(=O)CCC(=O)O

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC(=CC=C2)SCC(=O)CCC(=O)O

InChI

InChI=1S/C19H22N2O4S/c1-20-18-7-2-4-14(21-18)10-11-25-16-5-3-6-17(12-16)26-13-15(22)8-9-19(23)24/h2-7,12H,8-11,13H2,1H3,(H,20,21)(H,23,24)