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

Systemtic Name: [2-azanyl-4-[5-[3-(3-ethanoylphenoxy)prop-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [4-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate CAS Name: [4-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thiophenyl]-2-amino-2-methylbutyl] dihydrogen phosphate IUPAC Name: [4-[5-[3-(3-acetylphenoxy)prop-1-ynyl]thiophen-2-yl]-2-amino-2-methylbutyl] dihydrogen phosphate Traditional Name: [4-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate Formula: C20H24NO6PS MolecularWeight: 437.446421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO6PS/c1-15(22)16-5-3-6-17(13-16)26-12-4-7-18-8-9-19(29-18)10-11-20(2,21)14-27-28(23,24)25/h3,5-6,8-9,13H,10-12,14,21H2,1-2H3,(H2,23,24,25)