methyl 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]ethanoate

Systemtic Name: methyl 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]ethanoate Openeye Name: methyl 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]acetate CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]acetate Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]acetic acid methyl ester Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

COC(=O)CNC(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C12H13F2NO3S/c1-18-12(17)7-15-11(16)4-5-19-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5,7H2,1H3,(H,15,16)