6-[1-[3-(4-tert-butylsulfanyloxan-4-yl)-5-fluoranyl-phenoxy]ethyl]-1H-quinolin-2-one

Systemtic Name: 6-[1-[3-(4-tert-butylsulfanyloxan-4-yl)-5-fluoranyl-phenoxy]ethyl]-1H-quinolin-2-one Openeye Name: 6-[1-[3-(4-tert-butylsulfanyltetrahydropyran-4-yl)-5-fluoro-phenoxy]ethyl]-1H-quinolin-2-one CAS Name: 6-[1-[3-[4-(tert-butylthio)-4-oxanyl]-5-fluorophenoxy]ethyl]-1H-quinolin-2-one IUPAC Name: 6-[1-[3-(4-tert-butylsulfanyloxan-4-yl)-5-fluorophenoxy]ethyl]-1H-quinolin-2-one Traditional Name: 6-[1-[3-[4-(tert-butylthio)tetrahydropyran-4-yl]-5-fluoro-phenoxy]ethyl]carbostyril Formula: C26H30FNO3S MolecularWeight: 455.584703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC(=O)C=C2)OC3=CC(=CC(=C3)C4(CCOCC4)SC(C)(C)C)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)NC(=O)C=C2)OC3=CC(=CC(=C3)C4(CCOCC4)SC(C)(C)C)F

InChI

InChI=1S/C26H30FNO3S/c1-17(18-5-7-23-19(13-18)6-8-24(29)28-23)31-22-15-20(14-21(27)16-22)26(32-25(2,3)4)9-11-30-12-10-26/h5-8,13-17H,9-12H2,1-4H3,(H,28,29)