2-[3-(4-methylsulfonylphenoxy)-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]propanoic acid

Systemtic Name: 2-[3-(4-methylsulfonylphenoxy)-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]propanoic acid Openeye Name: 2-[3-(4-methylsulfonylphenoxy)-5-(thiazol-2-ylcarbamoyl)phenoxy]propanoic acid CAS Name: 2-[3-(4-methylsulfonylphenoxy)-5-[oxo-(2-thiazolylamino)methyl]phenoxy]propanoic acid IUPAC Name: 2-[3-(4-methylsulfonylphenoxy)-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]propanoic acid Traditional Name: 2-[3-(4-mesylphenoxy)-5-(thiazol-2-ylcarbamoyl)phenoxy]propionic acid Formula: C20H18N2O7S2 MolecularWeight: 462.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=CS3

Isomeric SMILES

CC(C(=O)O)OC1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)C(=O)NC3=NC=CS3

InChI

InChI=1S/C20H18N2O7S2/c1-12(19(24)25)28-15-9-13(18(23)22-20-21-7-8-30-20)10-16(11-15)29-14-3-5-17(6-4-14)31(2,26)27/h3-12H,1-2H3,(H,24,25)(H,21,22,23)