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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(3,4-dimethoxyphenyl)ethanone Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5S/c1-21-16-6-4-13(10-18(16)22-2)15(20)12-25-14-5-7-17-19(11-14)24-9-3-8-23-17/h4-7,10-11H,3,8-9,12H2,1-2H3