dimethyl 5-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2,5-dimethyl-3-[2-(2-pyridylsulfanyl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[1-oxo-2-(2-pyridinylthio)ethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-(2-pyridin-2-ylsulfanylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-(2-pyridylthio)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C23H22N2O5S/c1-14-9-19(20(26)13-31-21-7-5-6-8-24-21)15(2)25(14)18-11-16(22(27)29-3)10-17(12-18)23(28)30-4/h5-12H,13H2,1-4H3