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

Systemtic Name: dimethyl 5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-19-5-4-17-16(19)25-9-13(20)18-12-7-10(14(21)23-2)6-11(8-12)15(22)24-3/h4-8H,9H2,1-3H3,(H,18,20)