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

Systemtic Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC(=CC=C3)OC)C4=CC=CS4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O6S/c1-30-18-7-4-6-17(12-18)25(29)33-15-24(28)27-20(14-19(26-27)23-8-5-11-34-23)16-9-10-21(31-2)22(13-16)32-3/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1