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

Systemtic Name: 6-[1-[3-(2-tert-butylsulfanyloxan-4-yl)-5-fluoranyl-phenoxy]ethyl]-1H-quinolin-2-one Openeye Name: 6-[1-[3-(2-tert-butylsulfanyltetrahydropyran-4-yl)-5-fluoro-phenoxy]ethyl]-1H-quinolin-2-one CAS Name: 6-[1-[3-[2-(tert-butylthio)-4-oxanyl]-5-fluorophenoxy]ethyl]-1H-quinolin-2-one IUPAC Name: 6-[1-[3-(2-tert-butylsulfanyloxan-4-yl)-5-fluorophenoxy]ethyl]-1H-quinolin-2-one Traditional Name: 6-[1-[3-[2-(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)C4CCOC(C4)SC(C)(C)C)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)NC(=O)C=C2)OC3=CC(=CC(=C3)C4CCOC(C4)SC(C)(C)C)F

InChI

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