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

Systemtic Name: ethyl 4-[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-4-26-18(25)14-5-7-15(8-6-14)22-16(23)10-27-17(24)11-28-19-20-12(2)9-13(3)21-19/h5-9H,4,10-11H2,1-3H3,(H,22,23)