[2-azanyl-4-[5-[4-(3-ethanoylphenoxy)but-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[5-[4-(3-ethanoylphenoxy)but-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [4-[5-[4-(3-acetylphenoxy)but-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate CAS Name: [4-[5-[4-(3-acetylphenoxy)but-1-ynyl]-2-thiophenyl]-2-amino-2-methylbutyl] dihydrogen phosphate IUPAC Name: [4-[5-[4-(3-acetylphenoxy)but-1-ynyl]thiophen-2-yl]-2-amino-2-methylbutyl] dihydrogen phosphate Traditional Name: [4-[5-[4-(3-acetylphenoxy)but-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate Formula: C21H26NO6PS MolecularWeight: 451.473001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

InChI

InChI=1S/C21H26NO6PS/c1-16(23)17-6-5-7-18(14-17)27-13-4-3-8-19-9-10-20(30-19)11-12-21(2,22)15-28-29(24,25)26/h5-7,9-10,14H,4,11-13,15,22H2,1-2H3,(H2,24,25,26)