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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H21N3O3S/c1-11-12(2)20-18(21-13(11)3)25-10-16(22)19-9-14-5-7-15(8-6-14)17(23)24-4/h5-8H,9-10H2,1-4H3,(H,19,22)