1-[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylethanoylamino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylethanoylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinyl-1-oxoethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]propyl-ethoxy-phosphinic acid Formula: C20H24N3O5PS2 MolecularWeight: 481.525421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N3O5PS2/c1-3-19(29(25,26)28-4-2)23-18(24)13-31(27)15-11-9-14(10-12-15)21-20-22-16-7-5-6-8-17(16)30-20/h5-12,19H,3-4,13H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)