3-(5-bromanyl-6-diethoxyphosphinothioyloxy-2,4-dimethyl-pyridin-3-yl)propanoic acid

Systemtic Name: 3-(5-bromanyl-6-diethoxyphosphinothioyloxy-2,4-dimethyl-pyridin-3-yl)propanoic acid Openeye Name: 3-(5-bromo-6-diethoxyphosphinothioyloxy-2,4-dimethyl-3-pyridyl)propanoic acid CAS Name: 3-(5-bromo-6-diethoxyphosphinothioyloxy-2,4-dimethyl-3-pyridinyl)propanoic acid IUPAC Name: 3-(5-bromo-6-diethoxyphosphinothioyloxy-2,4-dimethylpyridin-3-yl)propanoic acid Traditional Name: 3-(5-bromo-6-diethoxythiophosphoryloxy-2,4-dimethyl-3-pyridyl)propionic acid Formula: C14H21BrNO5PS MolecularWeight: 426.263001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=C(C(=C(C(=N1)C)CCC(=O)O)C)Br

Isomeric SMILES

CCOP(=S)(OCC)OC1=C(C(=C(C(=N1)C)CCC(=O)O)C)Br

InChI

InChI=1S/C14H21BrNO5PS/c1-5-19-22(23,20-6-2)21-14-13(15)9(3)11(10(4)16-14)7-8-12(17)18/h5-8H2,1-4H3,(H,17,18)