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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-13(2)7-8-23-19(25)16-6-5-14(10-17(16)20(23)26)21(27)28-12-18(24)22-11-15-4-3-9-29-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,22,24)