[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-22(2,3)21(28)23-12-17-9-10-19(30-17)18(26)14-29-20(27)15-11-24-25(13-15)16-7-5-4-6-8-16/h4-11,13H,12,14H2,1-3H3,(H,23,28)