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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C17H19N3O3S/c1-11-8-12(2)20-17(19-11)24-10-15(21)18-9-13-4-6-14(7-5-13)16(22)23-3/h4-8H,9-10H2,1-3H3,(H,18,21)