[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]pyrazol-1-yl]methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CSC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CSC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H25N3O5S/c1-19(2,3)18(24)27-12-22-10-13(9-20-22)21-17(23)11-28-14-6-7-15(25-4)16(8-14)26-5/h6-10H,11-12H2,1-5H3,(H,21,23)