ethyl 3-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=C2)C)C

InChI

InChI=1S/C17H19N3O3S/c1-4-23-17(22)13-6-5-7-14(9-13)20-15(21)10-24-16-8-11(2)18-12(3)19-16/h5-9H,4,10H2,1-3H3,(H,20,21)