S-[(2-chlorophenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate

Systemtic Name: S-[(2-chlorophenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate Openeye Name: S-[(2-chlorophenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzenecarbothioic acid S-[(2-chlorophenyl)methyl] ester IUPAC Name: S-[(2-chlorophenyl)methyl] 2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxythiobenzoic acid S-(2-chlorobenzyl) ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)SCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC=C2C(=O)SCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-25-17-11-18(26-2)23-20(22-17)27-16-10-6-4-8-14(16)19(24)28-12-13-7-3-5-9-15(13)21/h3-11H,12H2,1-2H3