[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H17BrO3S MolecularWeight: 429.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H17BrO3S/c22-20-13-12-19(26-20)18(23)14-25-21(24)17-9-5-4-8-16(17)11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2