[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16O6S/c1-21-13-3-5-14(6-4-13)25-10-18(20)22-9-15(19)12-2-7-16-17(8-12)24-11-23-16/h2-8H,9-11H2,1H3