(2S)-4-methylsulfonyl-2-[(5-nitrofuran-2-yl)carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-[(5-nitrofuran-2-yl)carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(5-nitro-2-furoyl)amino]butyrate Formula: C10H11N2O8S- MolecularWeight: 319.26794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O8S/c1-21(18,19)5-4-6(10(14)15)11-9(13)7-2-3-8(20-7)12(16)17/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)/p-1/t6-/m0/s1