N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethoxyphenyl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-ethoxyphenyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethoxyphenyl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(p-phenetylthio)acetamide Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO4S/c1-2-22-15-5-7-16(8-6-15)25-13-19(21)20-14-4-9-17-18(12-14)24-11-3-10-23-17/h4-9,12H,2-3,10-11,13H2,1H3,(H,20,21)