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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H15BrO3S MolecularWeight: 415.3003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H15BrO3S/c21-19-11-10-18(25-19)17(22)13-24-20(23)16-9-5-4-8-15(16)12-14-6-2-1-3-7-14/h1-11H,12-13H2