2-[4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(5-acetyl-2-methoxyphenyl)methylthio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-acetyl-2-methoxy-benzyl)thio]butyl]isoindoline-1,3-quinone Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23NO4S/c1-15(24)16-9-10-20(27-2)17(13-16)14-28-12-6-5-11-23-21(25)18-7-3-4-8-19(18)22(23)26/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3