[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H9BrO5S MolecularWeight: 369.18726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C14H9BrO5S/c15-13-4-3-12(21-13)9(16)6-18-14(17)8-1-2-10-11(5-8)20-7-19-10/h1-5H,6-7H2