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

Systemtic Name: methyl 4-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C19H21N3O5S/c1-12-8-13(2)22-19(21-12)28-11-17(24)27-10-16(23)20-9-14-4-6-15(7-5-14)18(25)26-3/h4-8H,9-11H2,1-3H3,(H,20,23)