diethyl 5-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO6S/c1-5-27-20(25)18-13(4)19(21(26)28-6-2)23-15(18)10-29-17(24)11-30-16-8-7-14(22)9-12(16)3/h7-9,23H,5-6,10-11H2,1-4H3