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

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C26H25N3O6S MolecularWeight: 507.5582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2C(C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N2[C@H](C=C(N2)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H25N3O6S/c1-16(30)27-19-9-6-17(7-10-19)26(32)35-15-25(31)29-21(14-20(28-29)24-5-4-12-36-24)18-8-11-22(33-2)23(13-18)34-3/h4-14,21,28H,15H2,1-3H3,(H,27,30)/t21-/m1/s1