[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate CAS Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate Traditional Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H12BrF3O3S MolecularWeight: 469.27169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H12BrF3O3S/c21-18-10-9-17(28-18)16(25)11-27-19(26)15-4-2-1-3-14(15)12-5-7-13(8-6-12)20(22,23)24/h1-10H,11H2