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

Systemtic Name: 2-[3-(4-methylsulfonylphenoxy)-5-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]propanoic acid Openeye Name: 2-[3-(4-methylsulfonylphenoxy)-5-[(4-methylthiazol-2-yl)carbamoyl]phenoxy]propanoic acid CAS Name: 2-[3-(4-methylsulfonylphenoxy)-5-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]phenoxy]propanoic acid IUPAC Name: 2-[3-(4-methylsulfonylphenoxy)-5-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]propanoic acid Traditional Name: 2-[3-(4-mesylphenoxy)-5-[(4-methylthiazol-2-yl)carbamoyl]phenoxy]propionic acid Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC(C)C(=O)O)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)OC(C)C(=O)O)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20N2O7S2/c1-12-11-31-21(22-12)23-19(24)14-8-16(29-13(2)20(25)26)10-17(9-14)30-15-4-6-18(7-5-15)32(3,27)28/h4-11,13H,1-3H3,(H,25,26)(H,22,23,24)