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

Systemtic Name: methyl 4-[6-[2,4-bis(fluoranyl)phenyl]hexylsulfanyl]-3-cyano-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[6-(2,4-difluorophenyl)hexylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[6-(2,4-difluorophenyl)hexylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[6-(2,4-difluorophenyl)hexylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[6-(2,4-difluorophenyl)hexylthio]-3-hydroxy-butyric acid methyl ester Formula: C18H23F2NO3S MolecularWeight: 371.441926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F2NO3S/c1-24-17(22)11-18(23,12-21)13-25-9-5-3-2-4-6-14-7-8-15(19)10-16(14)20/h7-8,10,23H,2-6,9,11,13H2,1H3