methyl 4-[2,5-dimethyl-3-[2-(2-thiophen-3-ylethanoyloxy)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(2-thiophen-3-ylethanoyloxy)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[2-(3-thienyl)acetyl]oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[1-oxo-2-(3-thiophenyl)ethoxy]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(2-thiophen-3-ylacetyl)oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[2-(3-thienyl)acetyl]oxyacetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C22H21NO5S/c1-14-10-19(20(24)12-28-21(25)11-16-8-9-29-13-16)15(2)23(14)18-6-4-17(5-7-18)22(26)27-3/h4-10,13H,11-12H2,1-3H3