ethyl 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-5-24-17(23)14-6-8-15(9-7-14)21-16(22)10-25-18-19-12(3)11(2)13(4)20-18/h6-9H,5,10H2,1-4H3,(H,21,22)