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

Systemtic Name: [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(3R)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-[(3R)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-[(5R)-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(=C(C=C1)O)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H18N2O5S/c1-13-6-7-17(24)14(10-13)21(26)28-12-20(25)23-16(18-4-2-8-27-18)11-15(22-23)19-5-3-9-29-19/h2-10,16,24H,11-12H2,1H3/t16-/m1/s1