2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethyl]isoindoline-1,3-quinone Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCCN3C(=O)C4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCCN3C(=O)C4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C19H17NO4S/c21-18-14-4-1-2-5-15(14)19(22)20(18)8-11-25-13-6-7-16-17(12-13)24-10-3-9-23-16/h1-2,4-7,12H,3,8-11H2