5-tert-butyl-3-methyl-4-oxidanyl-7-thiophen-2-ylcarbonyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-methyl-4-oxidanyl-7-thiophen-2-ylcarbonyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-tert-butyl-4-hydroxy-3-methyl-7-(thiophene-2-carbonyl)benzofuran-2-carboxylic acid CAS Name: 5-tert-butyl-4-hydroxy-3-methyl-7-[oxo(thiophen-2-yl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-tert-butyl-4-hydroxy-3-methyl-7-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-tert-butyl-4-hydroxy-3-methyl-7-(2-thenoyl)coumarilic acid Formula: C19H18O5S MolecularWeight: 358.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2C(=O)C3=CC=CS3)C(C)(C)C)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2C(=O)C3=CC=CS3)C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C19H18O5S/c1-9-13-15(21)11(19(2,3)4)8-10(14(20)12-6-5-7-25-12)17(13)24-16(9)18(22)23/h5-8,21H,1-4H3,(H,22,23)