ethyl (3-methyl-4-methylsulfanyl-phenyl) (propanoylamino) phosphate

Systemtic Name: ethyl (3-methyl-4-methylsulfanyl-phenyl) (propanoylamino) phosphate Openeye Name: ethyl (3-methyl-4-methylsulfanyl-phenyl) (propanoylamino) phosphate CAS Name: phosphoric acid ethyl [3-methyl-4-(methylthio)phenyl] (1-oxopropylamino) ester IUPAC Name: ethyl (3-methyl-4-methylsulfanylphenyl) (propanoylamino) phosphate Traditional Name: phosphoric acid ethyl [3-methyl-4-(methylthio)phenyl] propionamido ester Formula: C13H20NO5PS MolecularWeight: 333.340361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NOP(=O)(OCC)OC1=CC(=C(C=C1)SC)C

Isomeric SMILES

CCC(=O)NOP(=O)(OCC)OC1=CC(=C(C=C1)SC)C

InChI

InChI=1S/C13H20NO5PS/c1-5-13(15)14-19-20(16,17-6-2)18-11-7-8-12(21-4)10(3)9-11/h7-9H,5-6H2,1-4H3,(H,14,15)