diethyl 5-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H22FN3O5S MolecularWeight: 471.501283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C(=O)OCC

InChI

InChI=1S/C23H22FN3O5S/c1-4-31-21(29)14-10-15(22(30)32-5-2)12-17(11-14)26-20(28)19-13-25-23(33-3)27(19)18-8-6-16(24)7-9-18/h6-13H,4-5H2,1-3H3,(H,26,28)