2-methyl-2-[[3-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]-1-benzothiophen-2-yl]carbonylamino]butanoic acid

Systemtic Name: 2-methyl-2-[[3-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]-1-benzothiophen-2-yl]carbonylamino]butanoic acid Openeye Name: 2-methyl-2-[[3-[[6-(trifluoromethyl)-3-pyridyl]methoxy]benzothiophene-2-carbonyl]amino]butanoic acid CAS Name: 2-methyl-2-[[oxo-[3-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophen-2-yl]methyl]amino]butanoic acid IUPAC Name: 2-methyl-2-[[3-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]-1-benzothiophene-2-carbonyl]amino]butanoic acid Traditional Name: 2-methyl-2-[[3-[[6-(trifluoromethyl)-3-pyridyl]methoxy]benzothiophene-2-carbonyl]amino]butyric acid Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4S/c1-3-20(2,19(28)29)26-18(27)17-16(13-6-4-5-7-14(13)31-17)30-11-12-8-9-15(25-10-12)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,26,27)(H,28,29)