5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-prop-2-enyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 1-allyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-thiazol-5-yl]pyrazole-3-carboxylic acid CAS Name: 5-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-5-thiazolyl]-1-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 1-allyl-5-[4-methyl-2-(pivaloylamino)thiazol-5-yl]pyrazole-3-carboxylic acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CC(=NN2CC=C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)(C)C)C2=CC(=NN2CC=C)C(=O)O

InChI

InChI=1S/C16H20N4O3S/c1-6-7-20-11(8-10(19-20)13(21)22)12-9(2)17-15(24-12)18-14(23)16(3,4)5/h6,8H,1,7H2,2-5H3,(H,21,22)(H,17,18,23)