2-(5-acetamido-2-bromanyl-4-fluoranyl-phenyl)ethanethioic S-acid

Systemtic Name: 2-(5-acetamido-2-bromanyl-4-fluoranyl-phenyl)ethanethioic S-acid Openeye Name: 2-(5-acetamido-2-bromo-4-fluoro-phenyl)ethanethioic S-acid CAS Name: 2-(5-acetamido-2-bromo-4-fluorophenyl)ethanethioic S-acid IUPAC Name: 2-(5-acetamido-2-bromo-4-fluorophenyl)ethanethioic S-acid Traditional Name: 2-(5-acetamido-2-bromo-4-fluoro-phenyl)thioacetic acid Formula: C10H9BrFNO2S MolecularWeight: 306.151363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)CC(=O)S)Br)F

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)CC(=O)S)Br)F

InChI

InChI=1S/C10H9BrFNO2S/c1-5(14)13-9-2-6(3-10(15)16)7(11)4-8(9)12/h2,4H,3H2,1H3,(H,13,14)(H,15,16)