[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-31-19-10-9-15(12-21(19)33-3)18-13-17(22-8-5-11-35-22)26-27(18)23(28)14-34-25(30)16-6-4-7-20(32-2)24(16)29/h4-12,18,29H,13-14H2,1-3H3