2-butyl-5-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[2-(2-thienyl)pyrrolidine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-[2-(2-thienyl)pyrrolidine-1-carbonyl]isoindoline-1,3-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H22N2O3S/c1-2-3-10-23-20(25)15-9-8-14(13-16(15)21(23)26)19(24)22-11-4-6-17(22)18-7-5-12-27-18/h5,7-9,12-13,17H,2-4,6,10-11H2,1H3