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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H11BrO5S2 MolecularWeight: 403.26814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H11BrO5S2/c1-22(18,19)12-5-3-2-4-9(12)14(17)20-8-10(16)11-6-7-13(15)21-11/h2-7H,8H2,1H3