[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14O5S/c1-23-13-5-2-11(3-6-13)14(18)9-20-17(19)12-4-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3