2-[2-cyano-5-(1,2-thiazol-4-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Systemtic Name: 2-[2-cyano-5-(1,2-thiazol-4-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Openeye Name: 2-[2-cyano-5-(isothiazol-4-ylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-[2-cyano-5-(4-isothiazolylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-[2-cyano-5-(1,2-thiazol-4-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid Traditional Name: 2-[2-cyano-5-(isothiazol-4-ylmethoxy)phenoxy]-4-(o-tolyl)butyric acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSN=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSN=C3)C#N

InChI

InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-17(15)7-9-20(22(25)26)28-21-10-19(8-6-18(21)11-23)27-13-16-12-24-29-14-16/h2-6,8,10,12,14,20H,7,9,13H2,1H3,(H,25,26)