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

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylsulfonylamino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(2-phthalimidoethylsulfonylamino)butyric acid ethyl ester Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)C(CCSC)NS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C17H22N2O6S2/c1-3-25-17(22)14(8-10-26-2)18-27(23,24)11-9-19-15(20)12-6-4-5-7-13(12)16(19)21/h4-7,14,18H,3,8-11H2,1-2H3