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

Systemtic Name: methyl 4-methyl-3-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(C(=N2)C)C)C

InChI

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