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

Systemtic Name: [2-azanyl-4-[5-[4-(4-ethylphenyl)but-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-[4-(4-ethylphenyl)but-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-[4-(4-ethylphenyl)but-1-ynyl]-2-thiophenyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-[4-(4-ethylphenyl)but-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-[4-(4-ethylphenyl)but-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate Formula: C21H28NO4PS MolecularWeight: 421.490081

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

Isomeric SMILES

CCC1=CC=C(C=C1)CCC#CC2=CC=C(S2)CCC(C)(COP(=O)(O)O)N

InChI

InChI=1S/C21H28NO4PS/c1-3-17-8-10-18(11-9-17)6-4-5-7-19-12-13-20(28-19)14-15-21(2,22)16-26-27(23,24)25/h8-13H,3-4,6,14-16,22H2,1-2H3,(H2,23,24,25)