methyl (2S)-2-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H17BrFNO4S MolecularWeight: 394.256483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=C(C=C(C=C1)F)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)COC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C14H17BrFNO4S/c1-20-14(19)11(5-6-22-2)17-13(18)8-21-12-4-3-9(16)7-10(12)15/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,18)/t11-/m0/s1