2-ethylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]icos-7-ynoic acid

Systemtic Name: 2-ethylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]icos-7-ynoic acid Openeye Name: 2-ethylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]icos-7-ynoic acid CAS Name: 2-(ethylthio)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-7-eicosynoic acid IUPAC Name: 2-ethylsulfanyl-2-[(2,2,2-trifluoroacetyl)amino]icos-7-ynoic acid Traditional Name: 2-(ethylthio)-2-[(2,2,2-trifluoroacetyl)amino]eicos-7-ynoic acid Formula: C24H40F3NO3S MolecularWeight: 479.63951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CCCCCC(C(=O)O)(NC(=O)C(F)(F)F)SCC

Isomeric SMILES

CCCCCCCCCCCCC#CCCCCC(C(=O)O)(NC(=O)C(F)(F)F)SCC

InChI

InChI=1S/C24H40F3NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(22(30)31,32-4-2)28-21(29)24(25,26)27/h3-14,17-20H2,1-2H3,(H,28,29)(H,30,31)