1,3-benzodioxol-5-yl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid 1,3-benzodioxol-5-yl ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17NO6S/c1-28-9-8-15(21-18(22)13-4-2-3-5-14(13)19(21)23)20(24)27-12-6-7-16-17(10-12)26-11-25-16/h2-7,10,15H,8-9,11H2,1H3