3-ethanoylsulfanyl-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 3-ethanoylsulfanyl-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Openeye Name: 3-acetylsulfanyl-3-[3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]-4,5-dihydroisoxazol-5-yl]propanoic acid CAS Name: 3-(acetylthio)-3-[3-[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-4,5-dihydroisoxazol-5-yl]propanoic acid IUPAC Name: 3-acetylsulfanyl-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Traditional Name: 3-(acetylthio)-3-[3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]-2-isoxazolin-5-yl]propionic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4=NOC(C4)C(CC(=O)O)SC(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4=NOC(C4)C(CC(=O)O)SC(=O)C

InChI

InChI=1S/C25H24N2O5S/c1-15-11-18(20-5-3-4-6-21(20)26-15)14-31-19-9-7-17(8-10-19)22-12-23(32-27-22)24(13-25(29)30)33-16(2)28/h3-11,23-24H,12-14H2,1-2H3,(H,29,30)