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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C

InChI

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