(1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)NC(=O)CC4=CC=CS4)OC

InChI

InChI=1S/C25H23N3O5S/c1-31-22-12-20(21(13-23(22)32-2)27-24(29)11-19-9-6-10-34-19)25(30)33-16-17-14-26-28(15-17)18-7-4-3-5-8-18/h3-10,12-15H,11,16H2,1-2H3,(H,27,29)