[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H12BrNO3S MolecularWeight: 426.28318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H12BrNO3S/c21-19-10-9-18(26-19)17(23)12-25-20(24)16-8-4-3-7-15(16)14-6-2-1-5-13(14)11-22/h1-10H,12H2