4-pentyl-5-(3-thiophen-3-ylphenoxy)isoindole-1,3-dione

Systemtic Name: 4-pentyl-5-(3-thiophen-3-ylphenoxy)isoindole-1,3-dione Openeye Name: 4-pentyl-5-[3-(3-thienyl)phenoxy]isoindoline-1,3-dione CAS Name: 4-pentyl-5-[3-(3-thiophenyl)phenoxy]isoindole-1,3-dione IUPAC Name: 4-pentyl-5-(3-thiophen-3-ylphenoxy)isoindole-1,3-dione Traditional Name: 4-amyl-5-[3-(3-thienyl)phenoxy]isoindoline-1,3-quinone Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC=CC(=C3)C4=CSC=C4

Isomeric SMILES

CCCCCC1=C(C=CC2=C1C(=O)NC2=O)OC3=CC=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C23H21NO3S/c1-2-3-4-8-18-20(10-9-19-21(18)23(26)24-22(19)25)27-17-7-5-6-15(13-17)16-11-12-28-14-16/h5-7,9-14H,2-4,8H2,1H3,(H,24,25,26)