2-[[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]-3-bromanyl-phenyl]methyl-(3,4-dichlorophenyl)amino]-1,3-thiazol-4-yl]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[2-[[4-[bis(fluoranyl)-phosphono-methyl]-3-bromanyl-phenyl]methyl-(3,4-dichlorophenyl)amino]-1,3-thiazol-4-yl]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[2-[N-[[3-bromo-4-[difluoro(phosphono)methyl]phenyl]methyl]-3,4-dichloro-anilino]thiazol-4-yl]anilino]-2-oxo-acetic acid CAS Name: 2-[4-[2-[N-[[3-bromo-4-[difluoro(phosphono)methyl]phenyl]methyl]-3,4-dichloroanilino]-4-thiazolyl]anilino]-2-oxoacetic acid IUPAC Name: 2-[4-[2-[N-[[3-bromo-4-[difluoro(phosphono)methyl]phenyl]methyl]-3,4-dichloroanilino]-1,3-thiazol-4-yl]anilino]-2-oxoacetic acid Traditional Name: 2-[4-[2-(N-[3-bromo-4-[difluoro(phosphono)methyl]benzyl]-3,4-dichloro-anilino)thiazol-4-yl]anilino]-2-keto-acetic acid Formula: C25H17BrCl2F2N3O6PS MolecularWeight: 707.264547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)N(CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)C4=CC(=C(C=C4)Cl)Cl)NC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)N(CC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br)C4=CC(=C(C=C4)Cl)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C25H17BrCl2F2N3O6PS/c26-18-9-13(1-7-17(18)25(29,30)40(37,38)39)11-33(16-6-8-19(27)20(28)10-16)24-32-21(12-41-24)14-2-4-15(5-3-14)31-22(34)23(35)36/h1-10,12H,11H2,(H,31,34)(H,35,36)(H2,37,38,39)