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

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic 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-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H18N2O5S/c1-13-5-2-6-14(20(13)25)21(26)28-12-19(24)23-16(17-7-3-9-27-17)11-15(22-23)18-8-4-10-29-18/h2-10,16,25H,11-12H2,1H3