1-[2-[5-(1,3-benzothiazol-2-ylamino)pyridin-2-yl]oxyethanoylamino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[2-[5-(1,3-benzothiazol-2-ylamino)pyridin-2-yl]oxyethanoylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[2-[[5-(1,3-benzothiazol-2-ylamino)-2-pyridyl]oxy]acetyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[[5-(1,3-benzothiazol-2-ylamino)-2-pyridinyl]oxy]-1-oxoethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[5-(1,3-benzothiazol-2-ylamino)pyridin-2-yl]oxyacetyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[2-[[5-(1,3-benzothiazol-2-ylamino)-2-pyridyl]oxy]acetyl]amino]propyl-ethoxy-phosphinic acid Formula: C19H23N4O5PS MolecularWeight: 450.448481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)COC1=NC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)COC1=NC=C(C=C1)NC2=NC3=CC=CC=C3S2)P(=O)(O)OCC

InChI

InChI=1S/C19H23N4O5PS/c1-3-18(29(25,26)28-4-2)23-16(24)12-27-17-10-9-13(11-20-17)21-19-22-14-7-5-6-8-15(14)30-19/h5-11,18H,3-4,12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)