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

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3S/c1-13(18(25)23-15-8-6-7-14(21)11-15)27-19(26)17-12-22-20(28-2)24(17)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,23,25)