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

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic 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] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N2C(C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N2[C@H](C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H23N3O5S/c1-25-10-4-6-17(25)23(28)31-14-22(27)26-18(13-16(24-26)21-7-5-11-32-21)15-8-9-19(29-2)20(12-15)30-3/h4-13,18,24H,14H2,1-3H3/t18-/m1/s1