(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21NO5S/c1-2-3-10-22-19(24)15-9-8-14(13-16(15)20(22)25)21(26)27-11-4-6-17(23)18-7-5-12-28-18/h5,7-9,12-13H,2-4,6,10-11H2,1H3