2-(6-oxidanyl-7-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid

Systemtic Name: 2-(6-oxidanyl-7-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid Openeye Name: 2-[6-hydroxy-7-(thiophene-2-carbonyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-hydroxy-7-[oxo(thiophen-2-yl)methyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-hydroxy-7-(thiophene-2-carbonyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-hydroxy-7-(2-thenoyl)coumaran-5-yl]propionic acid Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C2C(=C1)CCO2)C(=O)C3=CC=CS3)O)C(=O)O

Isomeric SMILES

CC(C1=C(C(=C2C(=C1)CCO2)C(=O)C3=CC=CS3)O)C(=O)O

InChI

InChI=1S/C16H14O5S/c1-8(16(19)20)10-7-9-4-5-21-15(9)12(13(10)17)14(18)11-3-2-6-22-11/h2-3,6-8,17H,4-5H2,1H3,(H,19,20)