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

Systemtic Name: 1-[[5-(1,3-benzothiazol-2-ylamino)-1-benzofuran-2-yl]carbonylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[5-(1,3-benzothiazol-2-ylamino)benzofuran-2-carbonyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[[5-(1,3-benzothiazol-2-ylamino)-2-benzofuranyl]-oxomethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[5-(1,3-benzothiazol-2-ylamino)-1-benzofuran-2-carbonyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[5-(1,3-benzothiazol-2-ylamino)benzofuran-2-carbonyl]amino]propyl-ethoxy-phosphinic acid Formula: C21H22N3O5PS MolecularWeight: 459.455241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=CC2=C(O1)C=CC(=C2)NC3=NC4=CC=CC=C4S3)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)C1=CC2=C(O1)C=CC(=C2)NC3=NC4=CC=CC=C4S3)P(=O)(O)OCC

InChI

InChI=1S/C21H22N3O5PS/c1-3-19(30(26,27)28-4-2)24-20(25)17-12-13-11-14(9-10-16(13)29-17)22-21-23-15-7-5-6-8-18(15)31-21/h5-12,19H,3-4H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)