2-[2-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-(pyrrolidin-1-ylmethyl)-2-furyl]methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-(1-pyrrolidinylmethyl)-2-furanyl]methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-(pyrrolidinomethyl)-2-furyl]methylthio]ethyl]isoindoline-1,3-quinone Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(O2)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C1)CC2=CC=C(O2)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H22N2O3S/c23-19-17-5-1-2-6-18(17)20(24)22(19)11-12-26-14-16-8-7-15(25-16)13-21-9-3-4-10-21/h1-2,5-8H,3-4,9-14H2