dimethyl 5-[[1-oxidanyl-4-(trifluoromethylsulfanyl)naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-oxidanyl-4-(trifluoromethylsulfanyl)naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-hydroxy-4-(trifluoromethylsulfanyl)naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-hydroxy-4-(trifluoromethylthio)-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-hydroxy-4-(trifluoromethylsulfanyl)naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-hydroxy-4-(trifluoromethylthio)-2-naphthoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H16F3NO6S MolecularWeight: 479.42575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(F)(F)F)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C22H16F3NO6S/c1-31-20(29)11-7-12(21(30)32-2)9-13(8-11)26-19(28)16-10-17(33-22(23,24)25)14-5-3-4-6-15(14)18(16)27/h3-10,27H,1-2H3,(H,26,28)