dimethyl 5-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(trifluoromethylthio)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H14F3NO5S MolecularWeight: 413.36767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3NO5S/c1-26-16(24)11-7-12(17(25)27-2)9-13(8-11)22-15(23)10-3-5-14(6-4-10)28-18(19,20)21/h3-9H,1-2H3,(H,22,23)