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

Systemtic Name: 2-acetamido-3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-acetamido-3-[(4-bromo-2,6-difluoro-phenyl)methylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-acetamido-3-[(4-bromo-2,6-difluorophenyl)methylthio]-2-methylpropanoic acid IUPAC Name: 2-acetamido-3-[(4-bromo-2,6-difluorophenyl)methylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-acetamido-3-[(4-bromo-2,6-difluoro-benzyl)thio]-2-methyl-propionic acid Formula: C13H14BrF2NO3S MolecularWeight: 382.220966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrF2NO3S/c1-7(18)17-13(2,12(19)20)6-21-5-9-10(15)3-8(14)4-11(9)16/h3-4H,5-6H2,1-2H3,(H,17,18)(H,19,20)