2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C18H17FO4S MolecularWeight: 348.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C18H17FO4S/c1-21-16-5-3-12(9-14(16)19)15(20)11-24-13-4-6-17-18(10-13)23-8-2-7-22-17/h3-6,9-10H,2,7-8,11H2,1H3