[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C21H20N2O5S/c1-13-3-6-15(7-4-13)29-10-9-22-18(24)12-28-21(27)14-5-8-16-17(11-14)20(26)23(2)19(16)25/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)