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

Systemtic Name: ethyl 2-[4-(2-azanylethylsulfanyl)-2-fluoranyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-(2-aminoethylsulfanyl)-2-fluoro-phenoxy]acetate CAS Name: 2-[4-(2-aminoethylthio)-2-fluorophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-aminoethylsulfanyl)-2-fluorophenoxy]acetate Traditional Name: 2-[4-(2-aminoethylthio)-2-fluoro-phenoxy]acetic acid ethyl ester Formula: C12H16FNO3S MolecularWeight: 273.323743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)SCCN)F

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)SCCN)F

InChI

InChI=1S/C12H16FNO3S/c1-2-16-12(15)8-17-11-4-3-9(7-10(11)13)18-6-5-14/h3-4,7H,2,5-6,8,14H2,1H3