2-acetamido-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[(4-bromo-2,6-difluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[(4-bromo-2,6-difluorophenyl)methylthio]propanoic acid IUPAC Name: 2-acetamido-3-[(4-bromo-2,6-difluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(4-bromo-2,6-difluoro-benzyl)thio]propionic acid Formula: C12H12BrF2NO3S MolecularWeight: 368.194386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1=C(C=C(C=C1F)Br)F)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCC1=C(C=C(C=C1F)Br)F)C(=O)O

InChI

InChI=1S/C12H12BrF2NO3S/c1-6(17)16-11(12(18)19)5-20-4-8-9(14)2-7(13)3-10(8)15/h2-3,11H,4-5H2,1H3,(H,16,17)(H,18,19)