2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO4S/c1-11-18(13(3)21)12(2)20-19(11)15(22)10-25-14-5-6-16-17(9-14)24-8-4-7-23-16/h5-6,9,20H,4,7-8,10H2,1-3H3