1-[4-methyl-4-(5-methylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one

Systemtic Name: 1-[4-methyl-4-(5-methylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one Openeye Name: 1-[2-hydroxy-4-methyl-4-(5-methylsulfanyl-2,3-dihydrobenzofuran-7-yl)-2-(trifluoromethyl)pentyl]quinolin-4-one CAS Name: 1-[2-hydroxy-4-methyl-4-[5-(methylthio)-2,3-dihydrobenzofuran-7-yl]-2-(trifluoromethyl)pentyl]-4-quinolinone IUPAC Name: 1-[2-hydroxy-4-methyl-4-(5-methylsulfanyl-2,3-dihydro-1-benzofuran-7-yl)-2-(trifluoromethyl)pentyl]quinolin-4-one Traditional Name: 1-[2-hydroxy-4-methyl-4-[5-(methylthio)coumaran-7-yl]-2-(trifluoromethyl)pentyl]-4-quinolone Formula: C25H26F3NO3S MolecularWeight: 477.53905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C4C(=CC(=C3)SC)CCO4

Isomeric SMILES

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C4C(=CC(=C3)SC)CCO4

InChI

InChI=1S/C25H26F3NO3S/c1-23(2,19-13-17(33-3)12-16-9-11-32-22(16)19)14-24(31,25(26,27)28)15-29-10-8-21(30)18-6-4-5-7-20(18)29/h4-8,10,12-13,31H,9,11,14-15H2,1-3H3