[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC=C(C=C3)O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)COC(=O)C3=CC=C(C=C3)O)C4=CC=CS4)OC

InChI

InChI=1S/C24H22N2O6S/c1-30-20-10-7-16(12-21(20)31-2)19-13-18(22-4-3-11-33-22)25-26(19)23(28)14-32-24(29)15-5-8-17(27)9-6-15/h3-12,19,27H,13-14H2,1-2H3/t19-/m1/s1