ethyl 2-[1-(3-fluorophenyl)-2-methyl-1-oxidanyl-propan-2-yl]sulfanyl-1-methyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(3-fluorophenyl)-2-methyl-1-oxidanyl-propan-2-yl]sulfanyl-1-methyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[2-(3-fluorophenyl)-2-hydroxy-1,1-dimethyl-ethyl]sulfanyl-1-methyl-imidazole-4-carboxylate CAS Name: 2-[[1-(3-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]thio]-1-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]sulfanyl-1-methylimidazole-4-carboxylate Traditional Name: 2-[[2-(3-fluorophenyl)-2-hydroxy-1,1-dimethyl-ethyl]thio]-1-methyl-imidazole-4-carboxylic acid ethyl ester Formula: C17H21FN2O3S MolecularWeight: 352.423643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N1)SC(C)(C)C(C2=CC(=CC=C2)F)O)C

Isomeric SMILES

CCOC(=O)C1=CN(C(=N1)SC(C)(C)C(C2=CC(=CC=C2)F)O)C

InChI

InChI=1S/C17H21FN2O3S/c1-5-23-15(22)13-10-20(4)16(19-13)24-17(2,3)14(21)11-7-6-8-12(18)9-11/h6-10,14,21H,5H2,1-4H3