sodium 2-[3-(2-methylpropyl)-6-(trifluoromethyl)indol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[3-(2-methylpropyl)-6-(trifluoromethyl)indol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[3-isobutyl-6-(trifluoromethyl)indol-1-yl]thiazole-4-carboxylate CAS Name: sodium 2-[3-(2-methylpropyl)-6-(trifluoromethyl)-1-indolyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[3-(2-methylpropyl)-6-(trifluoromethyl)indol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[3-isobutyl-6-(trifluoromethyl)indol-1-yl]thiazole-4-carboxylate Formula: C17H14F3N2NaO2S MolecularWeight: 390.35524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H15F3N2O2S.Na/c1-9(2)5-10-7-22(16-21-13(8-25-16)15(23)24)14-6-11(17(18,19)20)3-4-12(10)14;/h3-4,6-9H,5H2,1-2H3,(H,23,24);/q;+1/p-1