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

Systemtic Name: [[3-[bis(dimethylamino)phosphinothioyl]-2-morpholin-4-yl-cyclopent-2-en-1-ylidene]-phenyl-methyl] benzoate Openeye Name: [[3-[bis(dimethylamino)phosphinothioyl]-2-morpholino-cyclopent-2-en-1-ylidene]-phenyl-methyl] benzoate CAS Name: benzoic acid [[3-[bis(dimethylamino)phosphinothioyl]-2-(4-morpholinyl)-1-cyclopent-2-enylidene]-phenylmethyl] ester IUPAC Name: [[3-[bis(dimethylamino)phosphinothioyl]-2-morpholin-4-ylcyclopent-2-en-1-ylidene]-phenylmethyl] benzoate Traditional Name: benzoic acid [[3-[bis(dimethylamino)thiophosphoryl]-2-morpholino-cyclopent-2-en-1-ylidene]-phenyl-methyl] ester Formula: C27H34N3O3PS MolecularWeight: 511.615921

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)P(=S)(C1=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC1)N4CCOCC4)N(C)C

Isomeric SMILES

CN(C)P(=S)(C1=C(C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CC1)N4CCOCC4)N(C)C

InChI

InChI=1S/C27H34N3O3PS/c1-28(2)34(35,29(3)4)24-16-15-23(25(24)30-17-19-32-20-18-30)26(21-11-7-5-8-12-21)33-27(31)22-13-9-6-10-14-22/h5-14H,15-20H2,1-4H3