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

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-butanoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-acetamido-3-methyl-butanoate CAS Name: 2-acetamido-3-methylbutanoic 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] 2-acetamido-3-methylbutanoate Traditional Name: 2-acetamido-3-methyl-butyric acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-12(2)19(21-13(3)24)20(26)28-11-18(25)23-15(16-6-4-8-27-16)10-14(22-23)17-7-5-9-29-17/h4-9,12,15,19H,10-11H2,1-3H3,(H,21,24)