[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl] ester Formula: C22H24F3N3O4S MolecularWeight: 483.50387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C22H24F3N3O4S/c1-15(29)26-18(19-6-3-11-33-19)13-21(31)32-14-20(30)28-9-7-27(8-10-28)17-5-2-4-16(12-17)22(23,24)25/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,26,29)