2-cyano-4-(2-methylphenyl)-2-[3-(1,2-thiazol-4-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-cyano-4-(2-methylphenyl)-2-[3-(1,2-thiazol-4-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-cyano-2-[3-(isothiazol-4-ylmethoxy)phenoxy]-4-(o-tolyl)butanoic acid CAS Name: 2-cyano-2-[3-(4-isothiazolylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-cyano-4-(2-methylphenyl)-2-[3-(1,2-thiazol-4-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-cyano-2-[3-(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#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSN=C3

Isomeric SMILES

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

InChI

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