(5-cyano-2-fluoranyl-phenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C14H12FN3O2S MolecularWeight: 305.327383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=C(C=CC(=C2)C#N)F)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=C(C=CC(=C2)C#N)F)NC

InChI

InChI=1S/C14H12FN3O2S/c1-8-12(13(17-2)21-18-8)14(19)20-7-10-5-9(6-16)3-4-11(10)15/h3-5,17H,7H2,1-2H3