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

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylethanoylamino]butan-2-yl-ethoxy-phosphinic acid Openeye Name: 1-[[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]methyl]propyl-ethoxy-phosphinic acid CAS Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinyl-1-oxoethyl]amino]butan-2-yl-ethoxyphosphinic acid IUPAC Name: 1-[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]butan-2-yl-ethoxyphosphinic acid Traditional Name: 1-[[[2-[4-(1,3-benzothiazol-2-ylamino)phenyl]sulfinylacetyl]amino]methyl]propyl-ethoxy-phosphinic acid Formula: C21H26N3O5PS2 MolecularWeight: 495.552001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O5PS2/c1-3-16(30(26,27)29-4-2)13-22-20(25)14-32(28)17-11-9-15(10-12-17)23-21-24-18-7-5-6-8-19(18)31-21/h5-12,16H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)