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

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic 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-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)N1[C@H](CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N2O5S/c1-15(2)7-10-23(27)30-14-22(26)25-18(13-17(24-25)21-6-5-11-31-21)16-8-9-19(28-3)20(12-16)29-4/h5-6,8-9,11-12,15,18H,7,10,13-14H2,1-4H3/t18-/m1/s1