ethyl 2-[1-(3-fluorophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[1-(3-fluorophenyl)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-fluorophenyl)-1,1-dimethyl-2-oxo-ethyl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[1-(3-fluorophenyl)-2-methyl-1-oxopropan-2-yl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-fluorophenyl)-2-methyl-1-oxopropan-2-yl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[2-(3-fluorophenyl)-2-keto-1,1-dimethyl-ethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O3S/c1-4-22-14(21)12-9-18-15(19-12)23-16(2,3)13(20)10-6-5-7-11(17)8-10/h5-9H,4H2,1-3H3,(H,18,19)