[2-azanyl-4-[5-[5-(4-ethanoylphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[5-[5-(4-ethanoylphenyl)pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [4-[5-[5-(4-acetylphenyl)pent-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate CAS Name: [4-[5-[5-(4-acetylphenyl)pent-1-ynyl]-2-thiophenyl]-2-amino-2-methylbutyl] dihydrogen phosphate IUPAC Name: [4-[5-[5-(4-acetylphenyl)pent-1-ynyl]thiophen-2-yl]-2-amino-2-methylbutyl] dihydrogen phosphate Traditional Name: [4-[5-[5-(4-acetylphenyl)pent-1-ynyl]-2-thienyl]-2-amino-2-methyl-butyl] dihydrogen phosphate Formula: C22H28NO5PS MolecularWeight: 449.500181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO5PS/c1-17(24)19-10-8-18(9-11-19)6-4-3-5-7-20-12-13-21(30-20)14-15-22(2,23)16-28-29(25,26)27/h8-13H,3-4,6,14-16,23H2,1-2H3,(H2,25,26,27)