[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C18H17BrFNO5S MolecularWeight: 458.298683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)COC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C18H17BrFNO5S/c1-11(22)21-7-6-13-3-5-17(27-13)15(23)9-26-18(24)10-25-16-4-2-12(20)8-14(16)19/h2-5,8H,6-7,9-10H2,1H3,(H,21,22)