methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxidanylidene-1H-isoindol-1-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-isoindolin-1-yl]sulfanylacetate CAS Name: 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-ethoxyphenyl)-4,5-dimethoxy-3-oxo-1H-isoindol-1-yl]sulfanyl]acetate Traditional Name: 2-[(3-keto-4,5-dimethoxy-2-p-phenetyl-isoindolin-1-yl)thio]acetic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)C(=C(C=C3)OC)OC)SCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(C3=C(C2=O)C(=C(C=C3)OC)OC)SCC(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-5-28-14-8-6-13(7-9-14)22-20(24)18-15(21(22)29-12-17(23)26-3)10-11-16(25-2)19(18)27-4/h6-11,21H,5,12H2,1-4H3