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

Systemtic Name: sodium 2-[[2-butoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-butoxy-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-butoxy-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-butoxy-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-butoxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C16H15F3NNaO3S MolecularWeight: 381.34518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16F3NO3S.Na/c1-2-3-6-23-13-5-4-11(16(17,18)19)7-10(13)8-14-20-12(9-24-14)15(21)22;/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,22);/q;+1/p-1