[(2R)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [(2R)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H19FN4O4S/c1-13(18(27)25-20(29)24-15-6-4-3-5-7-15)30-19(28)17-12-23-21(31-2)26(17)16-10-8-14(22)9-11-16/h3-13H,1-2H3,(H2,24,25,27,29)/t13-/m1/s1