[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H11BrO5S2 MolecularWeight: 403.26814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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