[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic 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] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)19-14-20(26(25-19)16-8-5-4-6-9-16)24-21(28)15-30-22(29)12-11-17(27)18-10-7-13-31-18/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,28)