methyl 5-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 5-morpholino-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 5-morpholino-2-[[4-(trifluoromethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C20H19F3N2O4S MolecularWeight: 440.43607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C20H19F3N2O4S/c1-28-19(27)16-12-14(25-8-10-29-11-9-25)4-7-17(16)24-18(26)13-2-5-15(6-3-13)30-20(21,22)23/h2-7,12H,8-11H2,1H3,(H,24,26)