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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H20N2O5S/c1-2-3-8-22-18(24)15-7-6-13(10-16(15)19(22)25)20(26)27-12-17(23)21-11-14-5-4-9-28-14/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,21,23)