(2-bromanyl-4-fluoranyl-phenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C20H17BrFN3O3S MolecularWeight: 478.334683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H17BrFN3O3S/c1-25-9-8-23-20(25)29-12-18(26)24-17-5-3-2-4-15(17)19(27)28-11-13-6-7-14(22)10-16(13)21/h2-10H,11-12H2,1H3,(H,24,26)