2-oxidanylidenepropyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: acetonyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid acetonyl ester Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O3S/c1-9(18)8-20-13(19)12-7-16-14(21-2)17(12)11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3