methyl 3-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C

InChI

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