ethyl (E)-2-diethoxyphosphoryl-3-[1-(trifluoromethylsulfonyl)pyrrol-2-yl]prop-2-enedithioate

Systemtic Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(trifluoromethylsulfonyl)pyrrol-2-yl]prop-2-enedithioate Openeye Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(trifluoromethylsulfonyl)pyrrol-2-yl]prop-2-enedithioate CAS Name: (E)-2-diethoxyphosphoryl-3-[1-(trifluoromethylsulfonyl)-2-pyrrolyl]-2-propenedithioic acid ethyl ester IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(trifluoromethylsulfonyl)pyrrol-2-yl]prop-2-enedithioate Traditional Name: (E)-2-diethoxyphosphoryl-3-(1-triflylpyrrol-2-yl)prop-2-enedithioic acid ethyl ester Formula: C14H19F3NO5PS3 MolecularWeight: 465.468331

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC1=CC=CN1S(=O)(=O)C(F)(F)F)C(=S)SCC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C1=CC=CN1S(=O)(=O)C(F)(F)F)/C(=S)SCC)OCC

InChI

InChI=1S/C14H19F3NO5PS3/c1-4-22-24(19,23-5-2)12(13(25)26-6-3)10-11-8-7-9-18(11)27(20,21)14(15,16)17/h7-10H,4-6H2,1-3H3/b12-10+