S-(4-methylphenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanethioate

Systemtic Name: S-(4-methylphenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanethioate Openeye Name: S-(p-tolyl) 6-(1,3-dioxoisoindolin-2-yl)hexanethioate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 6-(1,3-dioxoisoindol-2-yl)hexanethioate Traditional Name: 6-phthalimidohexanethioic acid S-(p-tolyl) ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO3S/c1-15-10-12-16(13-11-15)26-19(23)9-3-2-6-14-22-20(24)17-7-4-5-8-18(17)21(22)25/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3