2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethylsulfanyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one Openeye Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)chroman-4-yl]isoindolin-1-one CAS Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)-3,4-dihydro-2H-1-benzopyran-4-yl]-3H-isoindol-1-one IUPAC Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethylsulfanyl)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one Traditional Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethylthio)chroman-4-yl]isoindolin-1-one Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CC4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CC4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C20H18F3NO3S/c1-19(2)17(25)16(24-10-11-5-3-4-6-13(11)18(24)26)14-9-12(28-20(21,22)23)7-8-15(14)27-19/h3-9,16-17,25H,10H2,1-2H3/t16-,17+/m1/s1