ethyl 5-[2-[2-(3,4-dimethylphenyl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[2-(3,4-dimethylphenyl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-[(3,4-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(3,4-dimethylphenyl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(3,4-dimethylphenyl)thio]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H25NO5S/c1-6-26-21(25)19-14(4)20(22-15(19)5)17(23)10-27-18(24)11-28-16-8-7-12(2)13(3)9-16/h7-9,22H,6,10-11H2,1-5H3