ethyl 4-dimorpholin-4-ylphosphinothioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-dimorpholin-4-ylphosphinothioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-dimorpholinophosphinothioyl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-[bis(4-morpholinyl)phosphinothioyl]-2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-dimorpholin-4-ylphosphinothioyl-2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 4-dimorpholinothiophosphoryl-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H32N3O4PS MolecularWeight: 477.556641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1P(=S)(N2CCOCC2)N3CCOCC3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1P(=S)(N2CCOCC2)N3CCOCC3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H32N3O4PS/c1-4-30-23(27)21-18(2)26(20-8-6-5-7-9-20)19(3)22(21)31(32,24-10-14-28-15-11-24)25-12-16-29-17-13-25/h5-9H,4,10-17H2,1-3H3