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

Systemtic Name: sodium 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-propoxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C15H13F3NNaO3S MolecularWeight: 367.3186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H14F3NO3S.Na/c1-2-5-22-12-4-3-10(15(16,17)18)6-9(12)7-13-19-11(8-23-13)14(20)21;/h3-4,6,8H,2,5,7H2,1H3,(H,20,21);/q;+1/p-1