2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-homoveratryl-acetamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-24-17-6-4-15(12-19(17)25-2)8-9-22-21(23)14-28-16-5-7-18-20(13-16)27-11-3-10-26-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,23)