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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-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-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H20N2O6S/c1-27-8-3-7-22-18(24)15-6-5-13(10-16(15)19(22)25)20(26)28-12-17(23)21-11-14-4-2-9-29-14/h2,4-6,9-10H,3,7-8,11-12H2,1H3,(H,21,23)