2-[4-oxidanylidene-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-[2-(3-thienyl)pyrrolidin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[2-(3-thiophenyl)-1-pyrrolidinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[2-(3-thienyl)pyrrolidino]butyl]isoindoline-1,3-quinone Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CSC=C4

InChI

InChI=1S/C20H20N2O3S/c23-18(21-10-3-7-17(21)14-9-12-26-13-14)8-4-11-22-19(24)15-5-1-2-6-16(15)20(22)25/h1-2,5-6,9,12-13,17H,3-4,7-8,10-11H2