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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H24N2O5S/c26-20(24-13-7-15-31-17-8-2-1-3-9-17)16-30-21(27)12-6-14-25-22(28)18-10-4-5-11-19(18)23(25)29/h1-5,8-11H,6-7,12-16H2,(H,24,26)