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

Systemtic Name: sodium 2-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]thiazole-4-carboxylate Formula: C18H12BrFNNaO3S MolecularWeight: 444.249953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CC3=NC(=CS3)C(=O)[O-])F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CC3=NC(=CS3)C(=O)[O-])F.[Na+]

InChI

InChI=1S/C18H13BrFNO3S.Na/c19-13-3-6-16(24-9-11-1-4-14(20)5-2-11)12(7-13)8-17-21-15(10-25-17)18(22)23;/h1-7,10H,8-9H2,(H,22,23);/q;+1/p-1