[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19FN4O4S/c1-31-21-24-12-17(26(21)16-9-7-15(22)8-10-16)19(28)30-13-18(27)25-20(29)23-11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H2,23,25,27,29)