ethyl 2-[2-(4-chlorophenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]ethanoate Openeye Name: ethyl 2-[2-(4-chlorophenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]acetate CAS Name: 2-[2-(4-chlorophenyl)-6-diethoxyphosphinothioyloxy-4-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)-6-diethoxyphosphinothioyloxypyrimidin-4-yl]acetate Traditional Name: 2-[2-(4-chlorophenyl)-6-diethoxythiophosphoryloxy-pyrimidin-4-yl]acetic acid ethyl ester Formula: C18H22ClN2O5PS MolecularWeight: 444.869441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)OP(=S)(OCC)OCC

Isomeric SMILES

CCOC(=O)CC1=CC(=NC(=N1)C2=CC=C(C=C2)Cl)OP(=S)(OCC)OCC

InChI

InChI=1S/C18H22ClN2O5PS/c1-4-23-17(22)12-15-11-16(26-27(28,24-5-2)25-6-3)21-18(20-15)13-7-9-14(19)10-8-13/h7-11H,4-6,12H2,1-3H3