methyl (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromo-2-fluorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H15BrFNO3S MolecularWeight: 364.230503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrFNO3S/c1-19-13(18)11(5-6-20-2)16-12(17)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6H2,1-2H3,(H,16,17)/t11-/m0/s1