[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylethanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylethanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)17-13-18(24(23-17)15-8-5-4-6-9-15)22-19(25)14-27-20(26)12-16-10-7-11-28-16/h4-11,13H,12,14H2,1-3H3,(H,22,25)