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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C4=CSC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C4=CSC=C4

InChI

InChI=1S/C21H22N2O3S/c1-2-3-9-23-20(25)16-7-6-14(12-17(16)21(23)26)19(24)22-10-4-5-18(22)15-8-11-27-13-15/h6-8,11-13,18H,2-5,9-10H2,1H3