2-[[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]amino]-2-(1,3-thiazol-4-yl)ethanoic acid

Systemtic Name: 2-[[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]amino]-2-(1,3-thiazol-4-yl)ethanoic acid Openeye Name: 2-[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)anilino]-2-thiazol-4-yl-acetic acid CAS Name: 2-[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)anilino]-2-(4-thiazolyl)acetic acid IUPAC Name: 2-[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)anilino]-2-(1,3-thiazol-4-yl)acetic acid Traditional Name: 2-[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)anilino]-2-thiazol-4-yl-acetic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CO)NC(C2=CSC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CO)NC(C2=CSC=N2)C(=O)O

InChI

InChI=1S/C19H26N2O4S/c1-18(2,3)12-6-11(7-13(16(12)23)19(4,5)9-22)21-15(17(24)25)14-8-26-10-20-14/h6-8,10,15,21-23H,9H2,1-5H3,(H,24,25)