methyl 4-methylsulfanyl-2-[(5-nitrofuran-2-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(5-nitrofuran-2-yl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(5-nitro-2-furoyl)amino]butyric acid methyl ester Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c1-18-11(15)7(5-6-20-2)12-10(14)8-3-4-9(19-8)13(16)17/h3-4,7H,5-6H2,1-2H3,(H,12,14)