methyl (2S)-4-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(4-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-(nosylamino)butyric acid methyl ester Formula: C12H16N2O6S2 MolecularWeight: 348.39524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S2/c1-20-12(15)11(7-8-21-2)13-22(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1