6-[2-[4-(4-fluoranyl-3-methyl-phenyl)-2,2-dimethyl-thiochromen-3-yl]ethyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[2-[4-(4-fluoranyl-3-methyl-phenyl)-2,2-dimethyl-thiochromen-3-yl]ethyl]-4-oxidanyl-oxan-2-one Openeye Name: 6-[2-[4-(4-fluoro-3-methyl-phenyl)-2,2-dimethyl-thiochromen-3-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 6-[2-[4-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1-benzothiopyran-3-yl]ethyl]-4-hydroxy-2-oxanone IUPAC Name: 6-[2-[4-(4-fluoro-3-methylphenyl)-2,2-dimethylthiochromen-3-yl]ethyl]-4-hydroxyoxan-2-one Traditional Name: 6-[2-[4-(4-fluoro-3-methyl-phenyl)-2,2-dimethyl-thiochromen-3-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one Formula: C25H27FO3S MolecularWeight: 426.543483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(SC3=CC=CC=C32)(C)C)CCC4CC(CC(=O)O4)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(SC3=CC=CC=C32)(C)C)CCC4CC(CC(=O)O4)O)F

InChI

InChI=1S/C25H27FO3S/c1-15-12-16(8-11-21(15)26)24-19-6-4-5-7-22(19)30-25(2,3)20(24)10-9-18-13-17(27)14-23(28)29-18/h4-8,11-12,17-18,27H,9-10,13-14H2,1-3H3