methyl 5-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC)OC

InChI

InChI=1S/C20H21N3O6S/c1-26-16-7-5-15(8-18(16)27-2)30-12-19(24)22-13-9-21-23(10-13)11-14-4-6-17(29-14)20(25)28-3/h4-10H,11-12H2,1-3H3,(H,22,24)