ethyl 2-[4-(2-azanylethylsulfanyl)-2,6-bis(fluoranyl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(2-azanylethylsulfanyl)-2,6-bis(fluoranyl)phenoxy]ethanoate Openeye Name: ethyl 2-[4-(2-aminoethylsulfanyl)-2,6-difluoro-phenoxy]acetate CAS Name: 2-[4-(2-aminoethylthio)-2,6-difluorophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-aminoethylsulfanyl)-2,6-difluorophenoxy]acetate Traditional Name: 2-[4-(2-aminoethylthio)-2,6-difluoro-phenoxy]acetic acid ethyl ester Formula: C12H15F2NO3S MolecularWeight: 291.314206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1F)SCCN)F

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1F)SCCN)F

InChI

InChI=1S/C12H15F2NO3S/c1-2-17-11(16)7-18-12-9(13)5-8(6-10(12)14)19-4-3-15/h5-6H,2-4,7,15H2,1H3