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

Systemtic Name: sodium 2-[[2-pentoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-pentoxy-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-pentoxy-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-pentoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-amoxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C17H17F3NNaO3S MolecularWeight: 395.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18F3NO3S.Na/c1-2-3-4-7-24-14-6-5-12(17(18,19)20)8-11(14)9-15-21-13(10-25-15)16(22)23;/h5-6,8,10H,2-4,7,9H2,1H3,(H,22,23);/q;+1/p-1