dimethyl 5-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-methylimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-[(1-methylimidazol-2-yl)thio]acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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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=NC=CN3C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H23N3O5S/c1-13-8-18(19(26)12-31-22-23-6-7-24(22)3)14(2)25(13)17-10-15(20(27)29-4)9-16(11-17)21(28)30-5/h6-11H,12H2,1-5H3