ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)C)C

InChI

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