[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N2O5S/c1-23(2,3)13-22(27)30-14-21(26)25-17(12-16(24-25)20-7-6-10-31-20)15-8-9-18(28-4)19(11-15)29-5/h6-11,17H,12-14H2,1-5H3