2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N2O3S/c1-14-12-19(15(2)23(14)10-9-16-6-5-11-28-16)20(25)13-24-21(26)17-7-3-4-8-18(17)22(24)27/h3-8,11-12H,9-10,13H2,1-2H3