ethyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfinyl-phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]-5-methylsulfinyl-phenoxy]ethanoate Openeye Name: ethyl 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-methylsulfinyl-phenoxy]acetate CAS Name: 2-[2-[[2-(4-bromo-2-fluorophenyl)-1-oxoethyl]amino]-5-methylsulfinylphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(4-bromo-2-fluorophenyl)acetyl]amino]-5-methylsulfinylphenoxy]acetate Traditional Name: 2-[2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]-5-methylsulfinyl-phenoxy]acetic acid ethyl ester Formula: C19H19BrFNO5S MolecularWeight: 472.325263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)S(=O)C)NC(=O)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)S(=O)C)NC(=O)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C19H19BrFNO5S/c1-3-26-19(24)11-27-17-10-14(28(2)25)6-7-16(17)22-18(23)8-12-4-5-13(20)9-15(12)21/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23)