[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)C

InChI

InChI=1S/C26H25N3O3S/c1-16-13-17(2)24(18(3)14-16)27-25(30)19(4)32-26(31)22-15-21(23-11-8-12-33-23)28-29(22)20-9-6-5-7-10-20/h5-15,19H,1-4H3,(H,27,30)