(2,3,6-trimethylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (2,3,6-trimethylphenyl) ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H23NO4S/c1-13-9-10-14(2)19(15(13)3)27-22(26)18(11-12-28-4)23-20(24)16-7-5-6-8-17(16)21(23)25/h5-10,18H,11-12H2,1-4H3