dimethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C18H19N3O5S/c1-10-7-11(2)20-18(19-10)27-9-15(22)21-14-8-12(16(23)25-3)5-6-13(14)17(24)26-4/h5-8H,9H2,1-4H3,(H,21,22)