methyl 4,5-dimethyl-2-[2-[2-(1-phenylpyrazol-4-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[2-(1-phenylpyrazol-4-yl)ethanoyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[1-oxo-2-(1-phenyl-4-pyrazolyl)ethoxy]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O5S/c1-13-14(2)30-20(19(13)21(27)28-3)23-17(25)12-29-18(26)9-15-10-22-24(11-15)16-7-5-4-6-8-16/h4-8,10-11H,9,12H2,1-3H3,(H,23,25)