methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylbutanoate

Systemtic Name: methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylbutanoate Openeye Name: methyl 3-(3,4-difluorophenyl)sulfanylbutanoate CAS Name: 3-[(3,4-difluorophenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 3-(3,4-difluorophenyl)sulfanylbutanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]butyric acid methyl ester Formula: C11H12F2O2S MolecularWeight: 246.273586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(CC(=O)OC)SC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C11H12F2O2S/c1-7(5-11(14)15-2)16-8-3-4-9(12)10(13)6-8/h3-4,6-7H,5H2,1-2H3