2-[4-(4-ethylphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-(4-ethylphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-ethylphenyl)-2-(2-methylpropanoylamino)thiazol-5-yl]acetic acid CAS Name: 2-[4-(4-ethylphenyl)-2-[(2-methyl-1-oxopropyl)amino]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-ethylphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(4-ethylphenyl)-2-(isobutyrylamino)thiazol-5-yl]acetic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C(C)C)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C(C)C)CC(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-4-11-5-7-12(8-6-11)15-13(9-14(20)21)23-17(18-15)19-16(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,20,21)(H,18,19,22)