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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)OCC

InChI

InChI=1S/C21H25NO5S/c1-3-24-17-8-6-15(12-19(17)25-4-2)22-21(23)14-28-16-7-9-18-20(13-16)27-11-5-10-26-18/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,22,23)