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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C15H17NO2S/c1-2-3-4-11-5-7-12(8-6-11)13-10-19-14(16-13)9-15(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)