[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-(4-methylphenyl)sulfanyl-butyl] ethanoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-(4-methylphenyl)sulfanyl-butyl] ethanoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)-1-(p-tolylsulfanyl)butyl] acetate CAS Name: acetic acid [4-(1,3-dioxo-2-isoindolyl)-1-[(4-methylphenyl)thio]butyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)-1-(4-methylphenyl)sulfanylbutyl] acetate Traditional Name: acetic acid [4-phthalimido-1-(p-tolylthio)butyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCN2C(=O)C3=CC=CC=C3C2=O)OC(=O)C

InChI

InChI=1S/C21H21NO4S/c1-14-9-11-16(12-10-14)27-19(26-15(2)23)8-5-13-22-20(24)17-6-3-4-7-18(17)21(22)25/h3-4,6-7,9-12,19H,5,8,13H2,1-2H3