2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethanoyl-1-benzofuran-3-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethanoyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-(2-acetylbenzofuran-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-acetyl-3-benzofuranyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-acetyl-1-benzofuran-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(2-acetylbenzofuran-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19NO5S/c1-13(23)21-20(15-5-2-3-6-16(15)27-21)22-19(24)12-28-14-7-8-17-18(11-14)26-10-4-9-25-17/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,24)