[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4)C

InChI

InChI=1S/C22H20N2O4S/c1-14-9-15(2)11-16(10-14)22(26)28-13-21(25)24-18(19-5-3-7-27-19)12-17(23-24)20-6-4-8-29-20/h3-11,18H,12-13H2,1-2H3