2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=C(C=C(C=C3)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSCC3=C(C=C(C=C3)F)Cl)OC1

InChI

InChI=1S/C18H17ClFNO3S/c19-15-8-13(20)3-2-12(15)10-25-11-18(22)21-14-4-5-16-17(9-14)24-7-1-6-23-16/h2-5,8-9H,1,6-7,10-11H2,(H,21,22)