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

Systemtic Name: ethyl 4-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-[(2,5-dimethylphenyl)thio]acetyl]oxyacetyl]-2,5-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(=O)COC(=O)CSC2=C(C=CC(=C2)C)C)C)C

Isomeric SMILES

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

InChI

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