2-(2-diethoxyphosphorylethanethioylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-diethoxyphosphorylethanethioylamino)-3-phenyl-propanoic acid Openeye Name: 2-[(2-diethoxyphosphorylethanethioyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-diethoxyphosphoryl-1-sulfanylideneethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-diethoxyphosphorylethanethioyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-diethoxyphosphorylthioacetyl)amino]-3-phenyl-propionic acid Formula: C15H22NO5PS MolecularWeight: 359.377641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=S)NC(CC1=CC=CC=C1)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC(=S)NC(CC1=CC=CC=C1)C(=O)O)OCC

InChI

InChI=1S/C15H22NO5PS/c1-3-20-22(19,21-4-2)11-14(23)16-13(15(17)18)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,16,23)(H,17,18)