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

Systemtic Name: 3-[4-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-acetamido-4-(2-methyl-4-thiazolyl)phenoxy]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-acetamido-4-(2-methyl-1,3-thiazol-4-yl)phenoxy]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-acetamido-4-(2-methylthiazol-4-yl)phenoxy]sulfonylphenyl]propionic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)NC(=O)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)NC(=O)C

InChI

InChI=1S/C21H20N2O6S2/c1-13(24)22-18-11-16(19-12-30-14(2)23-19)6-9-20(18)29-31(27,28)17-7-3-15(4-8-17)5-10-21(25)26/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,22,24)(H,25,26)