ethyl (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]prop-2-enedithioate

Systemtic Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]prop-2-enedithioate Openeye Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(p-tolylsulfonyl)pyrrol-2-yl]prop-2-enedithioate CAS Name: (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-2-propenedithioic acid ethyl ester IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]prop-2-enedithioate Traditional Name: (E)-2-diethoxyphosphoryl-3-(1-tosylpyrrol-2-yl)prop-2-enedithioic acid ethyl ester Formula: C20H26NO5PS3 MolecularWeight: 487.592901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)C(=S)SCC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)/C(=S)SCC)OCC

InChI

InChI=1S/C20H26NO5PS3/c1-5-25-27(22,26-6-2)19(20(28)29-7-3)15-17-9-8-14-21(17)30(23,24)18-12-10-16(4)11-13-18/h8-15H,5-7H2,1-4H3/b19-15+