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

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14O5S/c1-2-11-4-6-15(22-11)12(17)8-19-16(18)10-3-5-13-14(7-10)21-9-20-13/h3-7H,2,8-9H2,1H3