2-[(E)-4-(pyrrolidin-2-ylmethylsulfanyl)but-2-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-(pyrrolidin-2-ylmethylsulfanyl)but-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(pyrrolidin-2-ylmethylsulfanyl)but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(2-pyrrolidinylmethylthio)but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(pyrrolidin-2-ylmethylsulfanyl)but-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-(pyrrolidin-2-ylmethylthio)but-2-enyl]isoindoline-1,3-quinone Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CSCC=CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CC(NC1)CSC/C=C/CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O2S/c20-16-14-7-1-2-8-15(14)17(21)19(16)10-3-4-11-22-12-13-6-5-9-18-13/h1-4,7-8,13,18H,5-6,9-12H2/b4-3+