2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-m-anisyl-acetamide Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO4S/c1-24-16-5-2-4-14(8-16)11-22-19(23)13-27-12-15-9-17(21)20-18(10-15)25-6-3-7-26-20/h2,4-5,8-10H,3,6-7,11-13H2,1H3,(H,22,23)