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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C19H19ClFNO3S MolecularWeight: 395.875463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3)F

InChI

InChI=1S/C19H19ClFNO3S/c1-12-3-4-16(15(21)7-12)22-18(23)11-26-10-13-8-14(20)19-17(9-13)24-5-2-6-25-19/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,22,23)