2-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(4-sec-butylphenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-(4-butan-2-ylphenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(4-sec-butylphenyl)thiazol-2-yl]acetic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-3-10(2)11-4-6-12(7-5-11)13-9-19-14(16-13)8-15(17)18/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)