methyl (2S)-2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-fluoro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-fluoro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-fluoro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H15FN2O5S MolecularWeight: 330.332003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O5S/c1-21-13(18)10(5-6-22-2)15-12(17)8-3-4-9(14)11(7-8)16(19)20/h3-4,7,10H,5-6H2,1-2H3,(H,15,17)/t10-/m0/s1