2-methylsulfonylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-prop-2-ynoxy-benzoate

Systemtic Name: 2-methylsulfonylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-prop-2-ynoxy-benzoate Openeye Name: 2-methylsulfonylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-prop-2-ynoxy-benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-prop-2-ynoxybenzoic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-prop-2-ynoxybenzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-propargyloxy-benzoic acid 2-mesylethyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OCC#C)C(=O)OCCS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OCC#C)C(=O)OCCS(=O)(=O)C)OC

InChI

InChI=1S/C19H20N2O8S/c1-5-9-27-13-7-6-8-14(17(13)18(22)28-10-11-30(4,23)24)29-19-20-15(25-2)12-16(21-19)26-3/h1,6-8,12H,9-11H2,2-4H3