[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-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-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H17FN4O4S MolecularWeight: 392.404683

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O4S/c1-3-8-19-16(25)21-14(23)10-26-15(24)13-9-20-17(27-2)22(13)12-6-4-11(18)5-7-12/h3-7,9H,1,8,10H2,2H3,(H2,19,21,23,25)