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

Systemtic Name: methyl 3-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O3S/c1-10-7-15(18-11(2)17-10)23-9-14(20)19-13-6-4-5-12(8-13)16(21)22-3/h4-8H,9H2,1-3H3,(H,19,20)