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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid 4-phthalimidobutyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H23NO5S/c1-30-17-10-8-16(9-11-17)20(25)12-13-21(26)29-15-5-4-14-24-22(27)18-6-2-3-7-19(18)23(24)28/h2-3,6-11H,4-5,12-15H2,1H3