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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(3-methoxyphenyl)acetamide Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-23-15-5-2-4-14(10-15)21-18(22)12-26-11-13-8-16(20)19-17(9-13)24-6-3-7-25-19/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,21,22)