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

Systemtic Name: 2-(6-methyl-7-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid Openeye Name: 2-[6-methyl-7-(thiophene-2-carbonyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-methyl-7-[oxo(thiophen-2-yl)methyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-methyl-7-(thiophene-2-carbonyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-methyl-7-(2-thenoyl)coumaran-5-yl]propionic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=CS3)C(C)C(=O)O

Isomeric SMILES

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=CS3)C(C)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-9-12(10(2)17(19)20)8-11-5-6-21-16(11)14(9)15(18)13-4-3-7-22-13/h3-4,7-8,10H,5-6H2,1-2H3,(H,19,20)