(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 1,3-dioxo-2-[4-(p-tolylsulfanyl)phenyl]isoindoline-5-carboxylate CAS Name: 2-[4-[(4-methylphenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(p-tolylthio)phenyl]isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C28H19NO5S2 MolecularWeight: 513.58416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C28H19NO5S2/c1-17-4-9-20(10-5-17)36-21-11-7-19(8-12-21)29-26(31)22-13-6-18(15-23(22)27(29)32)28(33)34-16-24(30)25-3-2-14-35-25/h2-15H,16H2,1H3