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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-pyrazol-1-ylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(4-pyrazol-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[oxo-[4-(1-pyrazolyl)phenyl]methoxy]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-pyrazol-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-pyrazol-1-ylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)N3C=CC=N3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C20H19N3O5S/c1-12-13(2)29-18(17(12)20(26)27-3)22-16(24)11-28-19(25)14-5-7-15(8-6-14)23-10-4-9-21-23/h4-10H,11H2,1-3H3,(H,22,24)