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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 2-phthalimidoethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-30-14-11-18(23-19(25)15-7-3-2-4-8-15)22(28)29-13-12-24-20(26)16-9-5-6-10-17(16)21(24)27/h2-10,18H,11-14H2,1H3,(H,23,25)