2-(6-diethoxyphosphinothioyloxy-2,4-dimethyl-pyridin-3-yl)ethanoic acid

Systemtic Name: 2-(6-diethoxyphosphinothioyloxy-2,4-dimethyl-pyridin-3-yl)ethanoic acid Openeye Name: 2-(6-diethoxyphosphinothioyloxy-2,4-dimethyl-3-pyridyl)acetic acid CAS Name: 2-(6-diethoxyphosphinothioyloxy-2,4-dimethyl-3-pyridinyl)acetic acid IUPAC Name: 2-(6-diethoxyphosphinothioyloxy-2,4-dimethylpyridin-3-yl)acetic acid Traditional Name: 2-(6-diethoxythiophosphoryloxy-2,4-dimethyl-3-pyridyl)acetic acid Formula: C13H20NO5PS MolecularWeight: 333.340361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=NC(=C(C(=C1)C)CC(=O)O)C

Isomeric SMILES

CCOP(=S)(OCC)OC1=NC(=C(C(=C1)C)CC(=O)O)C

InChI

InChI=1S/C13H20NO5PS/c1-5-17-20(21,18-6-2)19-12-7-9(3)11(8-13(15)16)10(4)14-12/h7H,5-6,8H2,1-4H3,(H,15,16)