methyl 2-[[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-methylsulfanyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylsulfanyl-3-nitro-benzoyl)benzoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-[[[2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]phenyl]-oxomethoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylsulfanyl-3-nitrobenzoyl)benzoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-[[2-[4-(methylthio)-3-nitro-benzoyl]benzoyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C22H17NO8S MolecularWeight: 455.43728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO8S/c1-29-21(25)16-9-10-30-18(16)12-31-22(26)15-6-4-3-5-14(15)20(24)13-7-8-19(32-2)17(11-13)23(27)28/h3-11H,12H2,1-2H3