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

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C22H19N3O5S/c1-14(26)23-16-8-6-15(7-9-16)22(28)30-13-21(27)25-18(19-4-2-10-29-19)12-17(24-25)20-5-3-11-31-20/h2-11,18H,12-13H2,1H3,(H,23,26)