sodium 2-[[2-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-chloranyl-phenyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[[2-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-chloranyl-phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-[(4-bromo-2-fluoro-phenyl)methoxy]-5-chloro-phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-(4-bromo-2-fluoro-benzyl)oxy-5-chloro-benzyl]thiazole-4-carboxylate Formula: C18H11BrClFNNaO3S MolecularWeight: 478.695013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3)Br)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3)Br)F.[Na+]

InChI

InChI=1S/C18H12BrClFNO3S.Na/c19-12-2-1-10(14(21)7-12)8-25-16-4-3-13(20)5-11(16)6-17-22-15(9-26-17)18(23)24;/h1-5,7,9H,6,8H2,(H,23,24);/q;+1/p-1