[(3-dimethoxyphosphinothioyl-2-morpholin-4-yl-cyclopent-2-en-1-ylidene)-phenyl-methyl] benzoate

Systemtic Name: [(3-dimethoxyphosphinothioyl-2-morpholin-4-yl-cyclopent-2-en-1-ylidene)-phenyl-methyl] benzoate Openeye Name: [(3-dimethoxyphosphinothioyl-2-morpholino-cyclopent-2-en-1-ylidene)-phenyl-methyl] benzoate CAS Name: benzoic acid [[3-dimethoxyphosphinothioyl-2-(4-morpholinyl)-1-cyclopent-2-enylidene]-phenylmethyl] ester IUPAC Name: [(3-dimethoxyphosphinothioyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)-phenylmethyl] benzoate Traditional Name: benzoic acid [(3-dimethoxythiophosphoryl-2-morpholino-cyclopent-2-en-1-ylidene)-phenyl-methyl] ester Formula: C25H28NO5PS MolecularWeight: 485.532281

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Descriptors Computed from Structure

Canonical SMILES:

COP(=S)(C1=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC1)N4CCOCC4)OC

Isomeric SMILES

COP(=S)(C1=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC1)N4CCOCC4)OC

InChI

InChI=1S/C25H28NO5PS/c1-28-32(33,29-2)22-14-13-21(23(22)26-15-17-30-18-16-26)24(19-9-5-3-6-10-19)31-25(27)20-11-7-4-8-12-20/h3-12H,13-18H2,1-2H3