2-(3-acetamido-4-fluoranyl-phenyl)-2-chloranyl-ethanethioic S-acid

Systemtic Name: 2-(3-acetamido-4-fluoranyl-phenyl)-2-chloranyl-ethanethioic S-acid Openeye Name: 2-(3-acetamido-4-fluoro-phenyl)-2-chloro-ethanethioic S-acid CAS Name: 2-(3-acetamido-4-fluorophenyl)-2-chloroethanethioic S-acid IUPAC Name: 2-(3-acetamido-4-fluorophenyl)-2-chloroethanethioic S-acid Traditional Name: 2-(3-acetamido-4-fluoro-phenyl)-2-chloro-thioacetic acid Formula: C10H9ClFNO2S MolecularWeight: 261.700363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClFNO2S/c1-5(14)13-8-4-6(2-3-7(8)12)9(11)10(15)16/h2-4,9H,1H3,(H,13,14)(H,15,16)