[2-[(6-bromanyl-4-ethanoyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]phosphonic acid

Systemtic Name: [2-[(6-bromanyl-4-ethanoyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]phosphonic acid Openeye Name: [2-[(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenyl-ethyl]phosphonic acid CAS Name: [2-[(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]phosphonic acid IUPAC Name: [2-[(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]phosphonic acid Traditional Name: [2-[(4-acetyl-6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-1-phenyl-ethyl]phosphonic acid Formula: C17H14BrN2O5PS MolecularWeight: 469.246221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC2=C1N=C(S2)NC(=O)C(C3=CC=CC=C3)P(=O)(O)O)Br

Isomeric SMILES

CC(=O)C1=CC(=CC2=C1N=C(S2)NC(=O)C(C3=CC=CC=C3)P(=O)(O)O)Br

InChI

InChI=1S/C17H14BrN2O5PS/c1-9(21)12-7-11(18)8-13-14(12)19-17(27-13)20-16(22)15(26(23,24)25)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,19,20,22)(H2,23,24,25)