(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-phenyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-phenyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: 3-phenyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propionic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H14F3NO4S MolecularWeight: 385.35757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=CC=CS2)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=CC=CS2)NC(=O)C(F)(F)F

InChI

InChI=1S/C17H14F3NO4S/c18-17(19,20)16(24)21-12(11-5-2-1-3-6-11)9-15(23)25-10-13(22)14-7-4-8-26-14/h1-8,12H,9-10H2,(H,21,24)