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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,4-dimethoxyphenyl)acetamide Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-22-15-6-4-13(10-17(15)23-2)20-19(21)12-26-14-5-7-16-18(11-14)25-9-3-8-24-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21)