1-[[6-(1,3-benzothiazol-2-ylamino)-4-chloranyl-quinolin-2-yl]carbonylamino]propyl-ethoxy-phosphinic acid

Systemtic Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-chloranyl-quinolin-2-yl]carbonylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-chloro-quinoline-2-carbonyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[[6-(1,3-benzothiazol-2-ylamino)-4-chloro-2-quinolinyl]-oxomethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-chloroquinoline-2-carbonyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-chloro-quinoline-2-carbonyl]amino]propyl-ethoxy-phosphinic acid Formula: C22H22ClN4O4PS MolecularWeight: 504.926241

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=NC2=C(C=C(C=C2)NC3=NC4=CC=CC=C4S3)C(=C1)Cl)P(=O)(O)OCC

Isomeric SMILES

CCC(NC(=O)C1=NC2=C(C=C(C=C2)NC3=NC4=CC=CC=C4S3)C(=C1)Cl)P(=O)(O)OCC

InChI

InChI=1S/C22H22ClN4O4PS/c1-3-20(32(29,30)31-4-2)27-21(28)18-12-15(23)14-11-13(9-10-16(14)25-18)24-22-26-17-7-5-6-8-19(17)33-22/h5-12,20H,3-4H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)