[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5S/c24-18(22-11-13-29-15-6-2-1-3-7-15)14-28-19(25)10-12-23-20(26)16-8-4-5-9-17(16)21(23)27/h1-9H,10-14H2,(H,22,24)