1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)thio]ethanone Formula: C17H15FO3S MolecularWeight: 318.362603

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=CC=C(C=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=CC=C(C=C3)F)OC1

InChI

InChI=1S/C17H15FO3S/c18-13-3-5-14(6-4-13)22-11-15(19)12-2-7-16-17(10-12)21-9-1-8-20-16/h2-7,10H,1,8-9,11H2