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

Systemtic Name: butyl 4-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C21H25N3O5S/c1-4-5-10-28-20(27)16-6-8-17(9-7-16)24-18(25)12-29-19(26)13-30-21-22-14(2)11-15(3)23-21/h6-9,11H,4-5,10,12-13H2,1-3H3,(H,24,25)