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

Systemtic Name: dimethyl 5-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H18FN3O5S MolecularWeight: 443.448123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O5S/c1-29-19(27)12-8-13(20(28)30-2)10-15(9-12)24-18(26)17-11-23-21(31-3)25(17)16-6-4-14(22)5-7-16/h4-11H,1-3H3,(H,24,26)