[1-(3-ethoxycarbonylthiophen-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(3-ethoxycarbonylthiophen-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]-triphenyl-phosphanium bromide Openeye Name: [1-(3-ethoxycarbonyl-2-thienyl)-2-oxo-pyrrolidin-3-yl]-triphenyl-phosphonium bromide CAS Name: [1-(3-ethoxycarbonyl-2-thiophenyl)-2-oxo-3-pyrrolidinyl]-triphenylphosphonium bromide IUPAC Name: [1-(3-ethoxycarbonylthiophen-2-yl)-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide Traditional Name: [1-(3-carbethoxy-2-thienyl)-2-keto-pyrrolidin-3-yl]-triphenyl-phosphonium bromide Formula: C29H27BrNO3PS MolecularWeight: 580.472341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H27NO3PS.BrH/c1-2-33-29(32)25-19-21-35-28(25)30-20-18-26(27(30)31)34(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,19,21,26H,2,18,20H2,1H3;1H/q+1;/p-1