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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H15BrO4S MolecularWeight: 431.2997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H15BrO4S/c21-19-11-10-18(26-19)17(22)13-25-20(23)16-9-5-4-6-14(16)12-24-15-7-2-1-3-8-15/h1-11H,12-13H2