1-methoxy-3-(phenylmethoxycarbonylamino)-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: 1-methoxy-3-(phenylmethoxycarbonylamino)-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: 3-(benzyloxycarbonylamino)-1-methoxy-3-thioxo-2-triphenylphosphaniumyl-prop-1-en-1-olate CAS Name: 1-methoxy-3-(phenylmethoxycarbonylamino)-3-sulfanylidene-2-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: 1-methoxy-3-(phenylmethoxycarbonylamino)-3-sulfanylidene-2-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: 3-(benzyloxycarbonylamino)-1-methoxy-3-thioxo-2-triphenylphosphiniumyl-prop-1-en-1-olate Formula: C30H26NO4PS MolecularWeight: 527.570501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26NO4PS/c1-34-29(32)27(28(37)31-30(33)35-22-23-14-6-2-7-15-23)36(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,22H2,1H3,(H-,31,32,33,37)