3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCCN1C2=CC=CC=C2NC1=O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OCCCN1C2=CC=CC=C2NC1=O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O5S/c1-32-14-11-19(26-20(27)15-7-2-3-8-16(15)21(26)28)22(29)31-13-6-12-25-18-10-5-4-9-17(18)24-23(25)30/h2-5,7-10,19H,6,11-14H2,1H3,(H,24,30)