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

Systemtic Name: 2-[2-(4-cyano-2-fluoranyl-phenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(4-cyano-2-fluoro-phenyl)sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(4-cyano-2-fluorophenyl)thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(4-cyano-2-fluorophenyl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-cyano-2-fluoro-phenyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H9FN2O2S2 MolecularWeight: 308.351163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=C(C=C2)C#N)F)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=C(C=C2)C#N)F)CC(=O)O

InChI

InChI=1S/C13H9FN2O2S2/c1-7-11(5-12(17)18)20-13(16-7)19-10-3-2-8(6-15)4-9(10)14/h2-4H,5H2,1H3,(H,17,18)