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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiazol-5-yl]acetic acid CAS Name: 2-[4-(3,4-dimethylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(3,4-dimethylphenyl)-2-(isovalerylamino)thiazol-5-yl]acetic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-10(2)7-15(21)19-18-20-17(14(24-18)9-16(22)23)13-6-5-11(3)12(4)8-13/h5-6,8,10H,7,9H2,1-4H3,(H,22,23)(H,19,20,21)