(4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid [4-(methylthio)benzyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=C(C=C1)SC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=C(C=C1)SC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23NO4S/c1-14(2)12-19(22(26)27-13-15-8-10-16(28-3)11-9-15)23-20(24)17-6-4-5-7-18(17)21(23)25/h4-11,14,19H,12-13H2,1-3H3