2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H15BrFNO4S MolecularWeight: 380.229903

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C13H15BrFNO4S/c1-21-5-4-10(13(18)19)16-12(17)7-20-11-3-2-8(14)6-9(11)15/h2-3,6,10H,4-5,7H2,1H3,(H,16,17)(H,18,19)