[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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