3-[4-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[4-(5-acetyl-4-methyl-2-thiazolyl)phenoxy]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenoxy]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[4-(5-acetyl-4-methyl-thiazol-2-yl)phenoxy]sulfonylphenyl]propionic acid Formula: C21H19NO6S2 MolecularWeight: 445.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)C

InChI

InChI=1S/C21H19NO6S2/c1-13-20(14(2)23)29-21(22-13)16-6-8-17(9-7-16)28-30(26,27)18-10-3-15(4-11-18)5-12-19(24)25/h3-4,6-11H,5,12H2,1-2H3,(H,24,25)