sodium 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-benzyloxy-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-benzoxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C19H13F3NNaO3S MolecularWeight: 415.3614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H14F3NO3S.Na/c20-19(21,22)14-6-7-16(26-10-12-4-2-1-3-5-12)13(8-14)9-17-23-15(11-27-17)18(24)25;/h1-8,11H,9-10H2,(H,24,25);/q;+1/p-1