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

Systemtic Name: ethyl 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C19H23N3O3S/c1-5-16(26-19-20-12(3)11-13(4)21-19)17(23)22-15-9-7-14(8-10-15)18(24)25-6-2/h7-11,16H,5-6H2,1-4H3,(H,22,23)