(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H19FN2O3S MolecularWeight: 350.407763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC

InChI

InChI=1S/C17H19FN2O3S/c1-17(2,3)14(21)10-23-15(22)13-9-19-16(24-4)20(13)12-7-5-11(18)6-8-12/h5-9H,10H2,1-4H3