(1-benzamido-3-methoxy-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl)-triphenyl-phosphanium

Systemtic Name: (1-benzamido-3-methoxy-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl)-triphenyl-phosphanium Openeye Name: (2-benzamido-1-methoxycarbonyl-2-sulfanyl-vinyl)-triphenyl-phosphonium CAS Name: (1-benzamido-1-mercapto-3-methoxy-3-oxoprop-1-en-2-yl)-triphenylphosphonium IUPAC Name: (1-benzamido-3-methoxy-3-oxo-1-sulfanylprop-1-en-2-yl)-triphenylphosphanium Traditional Name: (2-benzamido-1-carbomethoxy-2-mercapto-vinyl)-triphenyl-phosphonium Formula: C29H25NO3PS+ MolecularWeight: 498.552461

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24NO3PS/c1-33-29(32)26(28(35)30-27(31)22-14-6-2-7-15-22)34(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3,(H-,30,31,32,35)/p+1