2-[2-(3-methylbutanoylamino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methylbutanoylamino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(3-methylbutanoylamino)-4-(p-tolyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-[(3-methyl-1-oxobutyl)amino]-4-(4-methylphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-methylbutanoylamino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(isovalerylamino)-4-(p-tolyl)thiazol-5-yl]acetic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC(C)C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC(C)C)CC(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-10(2)8-14(20)18-17-19-16(13(23-17)9-15(21)22)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,18,19,20)