ethyl 5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-thiazol-5-yl]pyrazole-3-carboxylate CAS Name: 5-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-5-thiazolyl]-1-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxylate Traditional Name: 1-benzyl-5-[4-methyl-2-(pivaloylamino)thiazol-5-yl]pyrazole-3-carboxylic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=C(N=C(S2)NC(=O)C(C)(C)C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=C(N=C(S2)NC(=O)C(C)(C)C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-6-29-19(27)16-12-17(26(25-16)13-15-10-8-7-9-11-15)18-14(2)23-21(30-18)24-20(28)22(3,4)5/h7-12H,6,13H2,1-5H3,(H,23,24,28)