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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(3-methoxyphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(3-methoxyphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxyphenyl)isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15NO6S/c1-28-15-5-2-4-14(11-15)23-20(25)16-8-7-13(10-17(16)21(23)26)22(27)29-12-18(24)19-6-3-9-30-19/h2-11H,12H2,1H3