[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O4S/c1-18(2,3)22-16(26)21-14(24)10-27-15(25)13-9-20-17(28-4)23(13)12-7-5-11(19)6-8-12/h5-9H,10H2,1-4H3,(H2,21,22,24,26)