methyl 3-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 3-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 3-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-11-7-12(2)20-18(19-11)27-10-16(23)26-9-15(22)21-14-6-4-5-13(8-14)17(24)25-3/h4-8H,9-10H2,1-3H3,(H,21,22)