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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(2-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-o-anisyl-acetamide Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO4S/c1-22-16-6-3-2-5-14(16)12-20-19(21)13-25-15-7-8-17-18(11-15)24-10-4-9-23-17/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,20,21)