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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-methylphenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(p-tolyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-methylphenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-methylphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(p-tolyl)ethanone Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18O3S/c1-13-3-5-14(6-4-13)16(19)12-22-15-7-8-17-18(11-15)21-10-2-9-20-17/h3-8,11H,2,9-10,12H2,1H3