methyl 4-[6-[2,4-bis(fluoranyl)phenyl]hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-[2,4-bis(fluoranyl)phenyl]hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2,4-difluorophenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2,4-difluorophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2,4-difluorophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(2,4-difluorophenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C17H22F2O3S MolecularWeight: 344.416586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=C(C=C(C=C1)F)F

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C17H22F2O3S/c1-22-17(21)11-15(20)12-23-9-5-3-2-4-6-13-7-8-14(18)10-16(13)19/h7-8,10H,2-6,9,11-12H2,1H3