[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H19FN2O3S/c1-14-10-15(2)25-22(24-14)29-13-17-6-3-4-9-19(17)21(27)28-12-20(26)16-7-5-8-18(23)11-16/h3-11H,12-13H2,1-2H3