4-[2-[bis(fluoranyl)methyl]-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-pentyl]thieno[3,2-b]pyridin-7-one

Systemtic Name: 4-[2-[bis(fluoranyl)methyl]-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-pentyl]thieno[3,2-b]pyridin-7-one Openeye Name: 4-[2-(difluoromethyl)-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-pentyl]thieno[3,2-b]pyridin-7-one CAS Name: 4-[2-(difluoromethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]-7-thieno[3,2-b]pyridinone IUPAC Name: 4-[2-(difluoromethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentyl]thieno[3,2-b]pyridin-7-one Traditional Name: 4-[2-(difluoromethyl)-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-pentyl]thieno[3,2-b]pyridin-7-one Formula: C21H22F3NO3S MolecularWeight: 425.46449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=CC(=O)C2=C1C=CS2)(C(F)F)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CN1C=CC(=O)C2=C1C=CS2)(C(F)F)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H22F3NO3S/c1-20(2,14-10-13(22)4-5-17(14)28-3)11-21(27,19(23)24)12-25-8-6-16(26)18-15(25)7-9-29-18/h4-10,19,27H,11-12H2,1-3H3