2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]propanedioic acid

Systemtic Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]propanedioic acid Openeye Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]propanedioic acid CAS Name: 2-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]propanedioic acid IUPAC Name: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]propanedioic acid Traditional Name: 2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]malonic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-19(2,3)15-9-26-16(20-15)14-8-11-6-10(4-5-13(11)25-14)7-12(17(21)22)18(23)24/h4-6,8-9,12H,7H2,1-3H3,(H,21,22)(H,23,24)