methyl 2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)OC

InChI

InChI=1S/C21H20FN3O5S/c1-28-17-9-14(20(27)30-3)15(10-18(17)29-2)24-19(26)16-11-23-21(31-4)25(16)13-7-5-12(22)6-8-13/h5-11H,1-4H3,(H,24,26)