N7O

(S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid


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Chemical Component Summary

Name(S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid
Identifiers[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxo-ethyl]-methyl-phosphinic acid
FormulaC19 H15 Cl F2 N O3 P S
Molecular Weight441.816
TypeNON-POLYMER
Isomeric SMILESC[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O
InChIInChI=1S/C19H15ClF2NO3PS/c1-27(25,26)18(14-10-28-17-5-3-12(20)9-13(14)17)19(24)23-7-6-11-2-4-15(21)16(22)8-11/h2-10,18H,1H3,(H,23,24)(H,25,26)/b7-6+/t18-/m0/s1
InChIKeySEXLHAASDZPHOM-DKFQHHCZSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count45
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 46398832