2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid 2-phthalimidoethyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5S/c1-28-15-8-6-14(7-9-15)18(23)10-11-19(24)27-13-12-22-20(25)16-4-2-3-5-17(16)21(22)26/h2-9H,10-13H2,1H3