2-[4-(3-tert-butyl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(3-tert-butyl-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-benzyloxy-3-tert-butyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(3-tert-butyl-4-phenylmethoxyphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-benzoxy-3-tert-butyl-phenyl)thiazol-2-yl]acetic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=CSC(=N2)CC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-22(2,3)17-11-16(18-14-27-20(23-18)12-21(24)25)9-10-19(17)26-13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,24,25)