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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

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