dimethyl 5-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-25-18(14-7-5-4-6-8-14)12-23-22(25)31-13-19(26)24-17-10-15(20(27)29-2)9-16(11-17)21(28)30-3/h4-12H,13H2,1-3H3,(H,24,26)