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

Systemtic Name: S-(4-methylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanethioate Openeye Name: S-(p-tolyl) 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanethioate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanethioate Traditional Name: 3-methyl-2-phthalimido-butanethioic acid S-(p-tolyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO3S/c1-12(2)17(20(24)25-14-10-8-13(3)9-11-14)21-18(22)15-6-4-5-7-16(15)19(21)23/h4-12,17H,1-3H3