2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[3-[[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propyl]ethanamide

Systemtic Name: 2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[3-[[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propyl]ethanamide Openeye Name: 2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[3-[[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]amino]propyl]acetamide CAS Name: 2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-yl-2-pyrrolyl)methylidene]-2-pyrrolyl]ethenyl]phenoxy]-N-[3-[[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]propyl]acetamide IUPAC Name: 2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-ylpyrrol-2-yl)methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[3-[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]propyl]acetamide Traditional Name: 2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[3-[[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]amino]propyl]acetamide Formula: C39H37BF2N4O4S MolecularWeight: 706.608286

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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC=C1C2=CC=CS2)C=C3C=CC(=N3)C=CC4=CC=C(C=C4)OCC(=O)NCCCNCC(COC5=CC=CC6=CC=CC=C65)O)(F)F

Isomeric SMILES

B(N1C(=CC=C1C2=CC=CS2)/C=C\3/C=CC(=N3)/C=C/C4=CC=C(C=C4)OCC(=O)NCCCNC[C@@H](COC5=CC=CC6=CC=CC=C65)O)(F)F

InChI

InChI=1S/C39H37BF2N4O4S/c41-40(42)46-32(17-20-36(46)38-10-4-23-51-38)24-31-16-15-30(45-31)14-11-28-12-18-34(19-13-28)49-27-39(48)44-22-5-21-43-25-33(47)26-50-37-9-3-7-29-6-1-2-8-35(29)37/h1-4,6-20,23-24,33,43,47H,5,21-22,25-27H2,(H,44,48)/b14-11+,31-24-/t33-/m0/s1