phenylsulfanylmethyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate

Systemtic Name: phenylsulfanylmethyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate Openeye Name: phenylsulfanylmethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid (phenylthio)methyl ester IUPAC Name: phenylsulfanylmethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate Traditional Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoic acid (phenylthio)methyl ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)OCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)OCSC3=CC=CC=C3)OC

InChI

InChI=1S/C20H17ClN2O5S/c1-25-16-11-17(26-2)23-20(22-16)28-15-10-6-9-14(21)18(15)19(24)27-12-29-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3