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

Systemtic Name: 2-[2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[(5-cyano-2-fluorophenyl)methylthio]-4-methyl-5-thiazolyl]acetate IUPAC Name: 2-[2-[(5-cyano-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[(5-cyano-2-fluoro-benzyl)thio]-4-methyl-thiazol-5-yl]acetate Formula: C14H10FN2O2S2- MolecularWeight: 321.369803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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