2-[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]sulfanylacetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[[5-(4-fluorophenyl)-1-methyl-imidazol-2-yl]thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O5S/c1-25-16(12-4-6-13(22)7-5-12)10-23-21(25)31-11-19(26)24-15-9-18(30-3)17(29-2)8-14(15)20(27)28/h4-10H,11H2,1-3H3,(H,24,26)(H,27,28)