ethoxy-[1-[[(E)-3-[4-[(2-methylsulfanylquinazolin-4-yl)amino]phenyl]prop-2-enoyl]amino]propyl]phosphinic acid

Systemtic Name: ethoxy-[1-[[(E)-3-[4-[(2-methylsulfanylquinazolin-4-yl)amino]phenyl]prop-2-enoyl]amino]propyl]phosphinic acid Openeye Name: ethoxy-[1-[[(E)-3-[4-[(2-methylsulfanylquinazolin-4-yl)amino]phenyl]prop-2-enoyl]amino]propyl]phosphinic acid CAS Name: ethoxy-[1-[[(E)-3-[4-[[2-(methylthio)-4-quinazolinyl]amino]phenyl]-1-oxoprop-2-enyl]amino]propyl]phosphinic acid IUPAC Name: ethoxy-[1-[[(E)-3-[4-[(2-methylsulfanylquinazolin-4-yl)amino]phenyl]prop-2-enoyl]amino]propyl]phosphinic acid Traditional Name: ethoxy-[1-[[(E)-3-[4-[[2-(methylthio)quinazolin-4-yl]amino]phenyl]acryloyl]amino]propyl]phosphinic acid Formula: C23H27N4O4PS MolecularWeight: 486.523641

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C=CC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SC)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)/C=C/C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SC)P(=O)(O)OCC

InChI

InChI=1S/C23H27N4O4PS/c1-4-21(32(29,30)31-5-2)26-20(28)15-12-16-10-13-17(14-11-16)24-22-18-8-6-7-9-19(18)25-23(27-22)33-3/h6-15,21H,4-5H2,1-3H3,(H,26,28)(H,29,30)(H,24,25,27)/b15-12+