(3-methylphenyl)sulfanylmethyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate

Systemtic Name: (3-methylphenyl)sulfanylmethyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate Openeye Name: m-tolylsulfanylmethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid [(3-methylphenyl)thio]methyl ester IUPAC Name: (3-methylphenyl)sulfanylmethyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate Traditional Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoic acid (m-tolylthio)methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCOC(=O)C2=C(C=CC=C2Cl)OC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)SCOC(=O)C2=C(C=CC=C2Cl)OC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C21H19ClN2O5S/c1-13-6-4-7-14(10-13)30-12-28-20(25)19-15(22)8-5-9-16(19)29-21-23-17(26-2)11-18(24-21)27-3/h4-11H,12H2,1-3H3