2-[2-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(3-bromo-4-fluorophenyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-bromo-4-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(3-bromo-4-fluoro-benzyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H11BrFNO2S2 MolecularWeight: 376.264343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=CC(=C(C=C2)F)Br)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=CC(=C(C=C2)F)Br)CC(=O)O

InChI

InChI=1S/C13H11BrFNO2S2/c1-7-11(5-12(17)18)20-13(16-7)19-6-8-2-3-10(15)9(14)4-8/h2-4H,5-6H2,1H3,(H,17,18)