methyl (2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3,5-difluorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3S/c1-19-13(18)11(3-4-20-2)16-12(17)8-5-9(14)7-10(15)6-8/h5-7,11H,3-4H2,1-2H3,(H,16,17)/t11-/m0/s1