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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C20H15FN2O2S2 MolecularWeight: 398.473703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C20H15FN2O2S2/c1-13-23-17(11-26-13)12-27-18-6-4-15(5-7-18)20(24)25-10-16-3-2-14(9-22)8-19(16)21/h2-8,11H,10,12H2,1H3