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

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic 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-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H22N2O6S/c1-14-16(8-9-30-14)23(27)31-13-22(26)25-18(12-17(24-25)21-5-4-10-32-21)15-6-7-19(28-2)20(11-15)29-3/h4-11,18H,12-13H2,1-3H3