diethyl 5-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[3-[(2-chlorophenyl)thio]-1-oxopropoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(2-chlorophenyl)sulfanylpropanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[3-[(2-chlorophenyl)thio]propanoyloxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClNO6S/c1-4-27-20(25)18-13(3)19(21(26)28-5-2)23-15(18)12-29-17(24)10-11-30-16-9-7-6-8-14(16)22/h6-9,23H,4-5,10-12H2,1-3H3