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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1H-pyrrol-2-yl)ethanone Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=CN3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=CN3)OC1

InChI

InChI=1S/C15H15NO3S/c17-13(12-3-1-6-16-12)10-20-11-4-5-14-15(9-11)19-8-2-7-18-14/h1,3-6,9,16H,2,7-8,10H2