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

Systemtic Name: ethyl 5-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO5S/c1-6-27-21(26)19-13(4)20(23-14(19)5)16(24)9-28-18(25)10-29-17-8-11(2)15(22)7-12(17)3/h7-8,23H,6,9-10H2,1-5H3