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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(2-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=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

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