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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-veratryl-acetamide Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-23-16-6-4-14(10-18(16)24-2)12-21-20(22)13-27-15-5-7-17-19(11-15)26-9-3-8-25-17/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,21,22)