(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)C3=CC=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H22N2O5S/c1-31-22-12-10-18(15-23(22)32-2)26-19(16-28(27-26)20-7-4-3-5-8-20)11-13-25(30)33-17-21(29)24-9-6-14-34-24/h3-16H,17H2,1-2H3