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

Systemtic Name: [1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: [1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid [1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid [2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H28N2O5S/c1-14-8-11-23(12-9-14)19(25)15(2)29-22(28)18(10-13-30-3)24-20(26)16-6-4-5-7-17(16)21(24)27/h4-7,14-15,18H,8-13H2,1-3H3