4-methylsulfonyl-2-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[(5-nitrothiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(5-nitrothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 4-mesyl-2-[(5-nitrothiophene-2-carbonyl)amino]butyric acid Formula: C10H12N2O7S2 MolecularWeight: 336.34148

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O7S2/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)