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

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic 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] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CS5)OC

InChI

InChI=1S/C27H23N3O5S/c1-33-23-12-10-18(14-24(23)34-2)22-15-21(25-8-5-13-36-25)29-30(22)26(31)16-35-27(32)20-11-9-17-6-3-4-7-19(17)28-20/h3-14,22H,15-16H2,1-2H3/t22-/m1/s1