methyl 5-morpholin-4-yl-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 5-morpholino-2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20F3N3O6S MolecularWeight: 499.46021

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O6S/c1-32-20(29)15-11-14(26-6-8-33-9-7-26)3-4-16(15)25-19(28)12-34-18-5-2-13(21(22,23)24)10-17(18)27(30)31/h2-5,10-11H,6-9,12H2,1H3,(H,25,28)