[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H20O5S/c1-13-3-5-16(9-14(13)2)26-8-7-20(22)23-11-17(21)15-4-6-18-19(10-15)25-12-24-18/h3-6,9-10H,7-8,11-12H2,1-2H3