2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]isoindole-1,3-dione IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]isoindoline-1,3-quinone Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCN3C(=O)C4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCN3C(=O)C4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C18H15NO4S/c20-17-13-4-1-2-5-14(13)18(21)19(17)11-24-12-6-7-15-16(10-12)23-9-3-8-22-15/h1-2,4-7,10H,3,8-9,11H2