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

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic 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-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S/c1-16(17-7-3-2-4-8-17)13-23(27)29-15-22(26)25-19(20-9-5-11-28-20)14-18(24-25)21-10-6-12-30-21/h2-12,16,19H,13-15H2,1H3