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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN2C=CC=CC2=C1C#N)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OCC1=CN2C=CC=CC2=C1C#N)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H19N3O4S/c1-31-11-9-20(26-21(27)16-6-2-3-7-17(16)22(26)28)23(29)30-14-15-13-25-10-5-4-8-19(25)18(15)12-24/h2-8,10,13,20H,9,11,14H2,1H3