methyl 5-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C16H16N2O9S2 MolecularWeight: 444.43624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O9S2/c1-25-16(20)13-5-3-10(27-13)9-26-15(19)8-17-29(23,24)11-4-6-14(28-2)12(7-11)18(21)22/h3-7,17H,8-9H2,1-2H3