[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H19N3O4S/c1-27-19-9-8-15(10-20(19)28-2)21-24-17(14-30-21)13-29-22(26)16-11-23-25(12-16)18-6-4-3-5-7-18/h3-12,14H,13H2,1-2H3