2-acetamido-3-[2-(3-chloranyl-4-fluoranyl-phenyl)-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[2-(3-chloranyl-4-fluoranyl-phenyl)-1,3-thiazol-5-yl]propanoic acid Openeye Name: 2-acetamido-3-[2-(3-chloro-4-fluoro-phenyl)thiazol-5-yl]propanoic acid CAS Name: 2-acetamido-3-[2-(3-chloro-4-fluorophenyl)-5-thiazolyl]propanoic acid IUPAC Name: 2-acetamido-3-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]propanoic acid Traditional Name: 2-acetamido-3-[2-(3-chloro-4-fluoro-phenyl)thiazol-5-yl]propionic acid Formula: C14H12ClFN2O3S MolecularWeight: 342.773083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=C(S1)C2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CN=C(S1)C2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C14H12ClFN2O3S/c1-7(19)18-12(14(20)21)5-9-6-17-13(22-9)8-2-3-11(16)10(15)4-8/h2-4,6,12H,5H2,1H3,(H,18,19)(H,20,21)