1-[6-[bis(fluoranyl)methylsulfanyl]-2,2-dimethyl-3-oxidanyl-chromen-4-yl]pyrrolidin-2-one

Systemtic Name: 1-[6-[bis(fluoranyl)methylsulfanyl]-2,2-dimethyl-3-oxidanyl-chromen-4-yl]pyrrolidin-2-one Openeye Name: 1-[6-(difluoromethylsulfanyl)-3-hydroxy-2,2-dimethyl-chromen-4-yl]pyrrolidin-2-one CAS Name: 1-[6-(difluoromethylthio)-3-hydroxy-2,2-dimethyl-1-benzopyran-4-yl]-2-pyrrolidinone IUPAC Name: 1-[6-(difluoromethylsulfanyl)-3-hydroxy-2,2-dimethylchromen-4-yl]pyrrolidin-2-one Traditional Name: 1-[6-(difluoromethylthio)-3-hydroxy-2,2-dimethyl-chromen-4-yl]-2-pyrrolidone Formula: C16H17F2NO3S MolecularWeight: 341.372886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)F)N3CCCC3=O)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)SC(F)F)N3CCCC3=O)O)C

InChI

InChI=1S/C16H17F2NO3S/c1-16(2)14(21)13(19-7-3-4-12(19)20)10-8-9(23-15(17)18)5-6-11(10)22-16/h5-6,8,15,21H,3-4,7H2,1-2H3