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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H19NO4S/c1-13(21)14-4-2-5-15(10-14)20-19(22)12-25-16-6-7-17-18(11-16)24-9-3-8-23-17/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,20,22)