[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C24H20N2O5S/c27-21(25-14-18-7-4-12-32-18)15-31-24(30)17-8-9-19-20(13-17)23(29)26(22(19)28)11-10-16-5-2-1-3-6-16/h1-9,12-13H,10-11,14-15H2,(H,25,27)