(2-oxidanylidene-2-thiophen-2-yl-ethyl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C27H17NO5S2 MolecularWeight: 499.55758

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C27H17NO5S2/c29-23(24-7-4-14-34-24)16-33-27(32)17-8-13-21-22(15-17)26(31)28(25(21)30)18-9-11-20(12-10-18)35-19-5-2-1-3-6-19/h1-15H,16H2