1-[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenoxy]ethanoylamino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluoranyl-phenoxy]ethanoylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenoxy]acetyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenoxy]-1-oxoethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenoxy]acetyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)-3-fluoro-phenoxy]acetyl]amino]propyl-ethoxy-phosphinic acid Formula: C20H23FN3O5PS MolecularWeight: 467.450884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN3O5PS/c1-3-19(30(26,27)29-4-2)24-18(25)12-28-13-9-10-15(14(21)11-13)22-20-23-16-7-5-6-8-17(16)31-20/h5-11,19H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)