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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2-diethylaminoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(2-diethylaminoethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-diethylaminoethyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(2-diethylaminoethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-diethylaminoethyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-3-22(4-2)9-10-23-19(25)15-8-7-14(12-16(15)20(23)26)21(27)28-13-17(24)18-6-5-11-29-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3