(2-azanyl-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C13H12FN3O3S MolecularWeight: 309.316083

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)N

InChI

InChI=1S/C13H12FN3O3S/c1-21-13-16-6-10(12(19)20-7-11(15)18)17(13)9-4-2-8(14)3-5-9/h2-6H,7H2,1H3,(H2,15,18)