[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21F3N2O5S/c22-21(23,24)14-3-4-16(26-7-9-30-10-8-26)15(12-14)25-19(28)13-31-20(29)6-5-17(27)18-2-1-11-32-18/h1-4,11-12H,5-10,13H2,(H,25,28)