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

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-ethoxyethanoate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic 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] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-4-28-13-21(25)29-12-20(24)23-16(11-15(22-23)19-6-5-9-30-19)14-7-8-17(26-2)18(10-14)27-3/h5-10,16H,4,11-13H2,1-3H3