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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C15H13BrO3S2 MolecularWeight: 385.29592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(S3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(S3)Br)OC1

InChI

InChI=1S/C15H13BrO3S2/c16-15-5-4-14(21-15)11(17)9-20-10-2-3-12-13(8-10)19-7-1-6-18-12/h2-5,8H,1,6-7,9H2