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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 1,3-bis(oxidanylidene)-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-[oxo(propoxy)methyl]phenyl]-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 1,3-dioxo-2-(4-propoxycarbonylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-propoxycarbonylphenyl)isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C25H19NO7S MolecularWeight: 477.48586

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C25H19NO7S/c1-2-11-32-24(30)15-5-8-17(9-6-15)26-22(28)18-10-7-16(13-19(18)23(26)29)25(31)33-14-20(27)21-4-3-12-34-21/h3-10,12-13H,2,11,14H2,1H3