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

Systemtic Name: methyl 2-methyl-5-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetyl]oxymethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C17H18N2O9S2 MolecularWeight: 458.46282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O9S2/c1-10-13(17(21)26-2)6-11(28-10)9-27-16(20)8-18-30(24,25)12-4-5-15(29-3)14(7-12)19(22)23/h4-7,18H,8-9H2,1-3H3