3-[4-(4-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid Openeye Name: 3-[4-(4-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)oxazol-5-yl]propanoic acid CAS Name: 3-[4-(4-chlorophenyl)-2-(2-methylsulfonyl-1-imidazolyl)-5-oxazolyl]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)-1,3-oxazol-5-yl]propanoic acid Traditional Name: 3-[4-(4-chlorophenyl)-2-(2-mesylimidazol-1-yl)oxazol-5-yl]propionic acid Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=CN1C2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=CN1C2=NC(=C(O2)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O5S/c1-26(23,24)16-18-8-9-20(16)15-19-14(10-2-4-11(17)5-3-10)12(25-15)6-7-13(21)22/h2-5,8-9H,6-7H2,1H3,(H,21,22)