[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-15(2)27-19(10-11-23-27)24-20(28)14-30-22(29)17-13-26(16-7-4-3-5-8-16)25-21(17)18-9-6-12-31-18/h3-13,15H,14H2,1-2H3,(H,24,28)