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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)CCC(=O)O

InChI

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