[(Z)-3-methoxy-1-methylsulfanyl-3-oxidanylidene-1-(phenylmethoxycarbonylamino)prop-1-en-2-yl]-triphenyl-phosphanium iodide

Systemtic Name: [(Z)-3-methoxy-1-methylsulfanyl-3-oxidanylidene-1-(phenylmethoxycarbonylamino)prop-1-en-2-yl]-triphenyl-phosphanium iodide Openeye Name: [(Z)-2-(benzyloxycarbonylamino)-1-methoxycarbonyl-2-methylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [(Z)-3-methoxy-1-(methylthio)-3-oxo-1-(phenylmethoxycarbonylamino)prop-1-en-2-yl]-triphenylphosphonium iodide IUPAC Name: [(Z)-3-methoxy-1-methylsulfanyl-3-oxo-1-(phenylmethoxycarbonylamino)prop-1-en-2-yl]-triphenylphosphanium iodide Traditional Name: [(Z)-2-(benzyloxycarbonylamino)-1-carbomethoxy-2-(methylthio)vinyl]-triphenyl-phosphonium iodide Formula: C31H29INO4PS MolecularWeight: 669.509491

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC(=O)OCC1=CC=CC=C1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

COC(=O)/C(=C(\NC(=O)OCC1=CC=CC=C1)/SC)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C31H28NO4PS.HI/c1-35-30(33)28(29(38-2)32-31(34)36-23-24-15-7-3-8-16-24)37(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;/h3-22H,23H2,1-2H3;1H