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

Systemtic Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-chromen-2-yl]carbonylamino]propyl-ethoxy-phosphinic acid Openeye Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-oxo-chromene-2-carbonyl]amino]propyl-ethoxy-phosphinic acid CAS Name: 1-[[[6-(1,3-benzothiazol-2-ylamino)-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]propyl-ethoxyphosphinic acid IUPAC Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-oxochromene-2-carbonyl]amino]propyl-ethoxyphosphinic acid Traditional Name: 1-[[6-(1,3-benzothiazol-2-ylamino)-4-keto-chromene-2-carbonyl]amino]propyl-ethoxy-phosphinic acid Formula: C22H22N3O6PS MolecularWeight: 487.465341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N3O6PS/c1-3-20(32(28,29)30-4-2)25-21(27)18-12-16(26)14-11-13(9-10-17(14)31-18)23-22-24-15-7-5-6-8-19(15)33-22/h5-12,20H,3-4H2,1-2H3,(H,23,24)(H,25,27)(H,28,29)