N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide Formula: C16H17BrFNO2S2 MolecularWeight: 418.344083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCCSCC2=CC=C(S2)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCCSCC2=CC=C(S2)Br)F

InChI

InChI=1S/C16H17BrFNO2S2/c1-21-14-4-2-11(8-13(14)18)9-16(20)19-6-7-22-10-12-3-5-15(17)23-12/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)