[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-quinoxalin-2-ylprop-2-enoate CAS Name: 3-(2-quinoxalinyl)-2-propenoic acid [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 3-quinoxalin-2-ylprop-2-enoate Traditional Name: 3-quinoxalin-2-ylacrylic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C28H24N4O5S MolecularWeight: 528.57896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3)C5=CC=CS5)OC

InChI

InChI=1S/C28H24N4O5S/c1-35-24-11-9-18(14-25(24)36-2)23-15-22(26-8-5-13-38-26)31-32(23)27(33)17-37-28(34)12-10-19-16-29-20-6-3-4-7-21(20)30-19/h3-16,23,31H,17H2,1-2H3/t23-/m1/s1