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

Systemtic Name: 2-[2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(4-cyano-2-fluorophenyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(4-cyano-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(4-cyano-2-fluoro-benzyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C14H11FN2O2S2 MolecularWeight: 322.377743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=C(C=C(C=C2)C#N)F)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=C(C=C(C=C2)C#N)F)CC(=O)O

InChI

InChI=1S/C14H11FN2O2S2/c1-8-12(5-13(18)19)21-14(17-8)20-7-10-3-2-9(6-16)4-11(10)15/h2-4H,5,7H2,1H3,(H,18,19)