3-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[2-(4-tert-butylphenyl)thiazol-4-yl]propanoic acid CAS Name: 3-[2-(4-tert-butylphenyl)-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[2-(4-tert-butylphenyl)thiazol-4-yl]propionic acid Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CS2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CS2)CCC(=O)O

InChI

InChI=1S/C16H19NO2S/c1-16(2,3)12-6-4-11(5-7-12)15-17-13(10-20-15)8-9-14(18)19/h4-7,10H,8-9H2,1-3H3,(H,18,19)