[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic 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] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC=NC=C3)C4=CC=CS4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5S/c1-29-19-6-5-16(12-20(19)30-2)18-13-17(21-4-3-11-32-21)25-26(18)22(27)14-31-23(28)15-7-9-24-10-8-15/h3-13,18,25H,14H2,1-2H3/t18-/m1/s1