methyl (E)-2-diethoxyphosphoryl-3-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-diethoxyphosphoryl-3-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)prop-2-enoate Openeye Name: methyl (E)-2-diethoxyphosphoryl-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enoate CAS Name: (E)-2-diethoxyphosphoryl-3-(4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-diethoxyphosphoryl-3-(4-oxo-2-sulfanylidenepyrimidin-1-yl)prop-2-enoate Traditional Name: (E)-2-diethoxyphosphoryl-3-(4-keto-2-thioxo-pyrimidin-1-yl)acrylic acid methyl ester Formula: C12H17N2O6PS MolecularWeight: 348.311941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CN1C=CC(=O)NC1=S)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/N1C=CC(=O)NC1=S)/C(=O)OC)OCC

InChI

InChI=1S/C12H17N2O6PS/c1-4-19-21(17,20-5-2)9(11(16)18-3)8-14-7-6-10(15)13-12(14)22/h6-8H,4-5H2,1-3H3,(H,13,15,22)/b9-8+