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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-methoxyphenyl)ethanone Formula: C18H18O4S MolecularWeight: 330.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O4S/c1-20-14-5-3-13(4-6-14)16(19)12-23-15-7-8-17-18(11-15)22-10-2-9-21-17/h3-8,11H,2,9-10,12H2,1H3