5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(3,4-dimethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCCC(=O)O)OC

InChI

InChI=1S/C20H22N2O5S/c1-26-16-9-8-13(11-17(16)27-2)14-12-15(18-5-4-10-28-18)22(21-14)19(23)6-3-7-20(24)25/h4-5,8-11,15H,3,6-7,12H2,1-2H3,(H,24,25)