methyl 4,5-dimethyl-2-[2-[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[4-(pyrazol-1-ylmethyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[oxo-[4-(1-pyrazolylmethyl)phenyl]methoxy]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[4-(pyrazol-1-ylmethyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[4-(pyrazol-1-ylmethyl)benzoyl]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)C2=CC=C(C=C2)CN3C=CC=N3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3)C

InChI

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