2-azanyl-3-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-bromo-4-fluorophenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-bromo-4-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-bromo-4-fluoro-benzyl)thio]propionic acid Formula: C10H11BrFNO2S MolecularWeight: 308.167243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC(C(=O)O)N)Br)F

Isomeric SMILES

C1=CC(=C(C=C1CSCC(C(=O)O)N)Br)F

InChI

InChI=1S/C10H11BrFNO2S/c11-7-3-6(1-2-8(7)12)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)