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

Systemtic Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]prop-2-enedithioate Openeye Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(p-tolylsulfonyl)indol-2-yl]prop-2-enedithioate CAS Name: (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonyl-2-indolyl]-2-propenedithioic acid ethyl ester IUPAC Name: ethyl (E)-2-diethoxyphosphoryl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]prop-2-enedithioate Traditional Name: (E)-2-diethoxyphosphoryl-3-(1-tosylindol-2-yl)prop-2-enedithioic acid ethyl ester Formula: C24H28NO5PS3 MolecularWeight: 537.651581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CC1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)C(=S)SCC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)/C(=S)SCC)OCC

InChI

InChI=1S/C24H28NO5PS3/c1-5-29-31(26,30-6-2)23(24(32)33-7-3)17-20-16-19-10-8-9-11-22(19)25(20)34(27,28)21-14-12-18(4)13-15-21/h8-17H,5-7H2,1-4H3/b23-17+