2-(5-azanyl-2-chloranyl-4-fluoranyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(5-azanyl-2-chloranyl-4-fluoranyl-phenyl)sulfanylpropanoic acid Openeye Name: 2-(5-amino-2-chloro-4-fluoro-phenyl)sulfanylpropanoic acid CAS Name: 2-[(5-amino-2-chloro-4-fluorophenyl)thio]propanoic acid IUPAC Name: 2-(5-amino-2-chloro-4-fluorophenyl)sulfanylpropanoic acid Traditional Name: 2-[(5-amino-2-chloro-4-fluoro-phenyl)thio]propionic acid Formula: C9H9ClFNO2S MolecularWeight: 249.689663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C(=C1)N)F)Cl

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C(=C1)N)F)Cl

InChI

InChI=1S/C9H9ClFNO2S/c1-4(9(13)14)15-8-3-7(12)6(11)2-5(8)10/h2-4H,12H2,1H3,(H,13,14)