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

Systemtic Name: [3-methoxy-3-oxidanylidene-1-(phenylmethoxycarbonylamino)-1-sulfanyl-prop-1-en-2-yl]-triphenyl-phosphanium Openeye Name: [2-(benzyloxycarbonylamino)-1-methoxycarbonyl-2-sulfanyl-vinyl]-triphenyl-phosphonium CAS Name: [1-mercapto-3-methoxy-3-oxo-1-(phenylmethoxycarbonylamino)prop-1-en-2-yl]-triphenylphosphonium IUPAC Name: [3-methoxy-3-oxo-1-(phenylmethoxycarbonylamino)-1-sulfanylprop-1-en-2-yl]-triphenylphosphanium Traditional Name: [2-(benzyloxycarbonylamino)-1-carbomethoxy-2-mercapto-vinyl]-triphenyl-phosphonium Formula: C30H27NO4PS+ MolecularWeight: 528.578441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1