[1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C20H20F3NO4S/c1-13(18(25)24-12-11-14-3-7-16(27-2)8-4-14)28-19(26)15-5-9-17(10-6-15)29-20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)