methyl 4-[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O3S/c1-24-17(13-3-7-15(21)8-4-13)11-22-20(24)28-12-18(25)23-16-9-5-14(6-10-16)19(26)27-2/h3-11H,12H2,1-2H3,(H,23,25)