3-[(2-methyl-7-methylsulfanyl-1-benzofuran-4-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(2-methyl-7-methylsulfanyl-1-benzofuran-4-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[hydroxy-(2-methyl-7-methylsulfanyl-benzofuran-4-yl)methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[hydroxy-[2-methyl-7-(methylthio)-4-benzofuranyl]methylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[hydroxy-(2-methyl-7-methylsulfanyl-1-benzofuran-4-yl)methylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[hydroxy-[2-methyl-7-(methylthio)benzofuran-4-yl]methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2O1)SC)C(=C3C(=O)C4CCC(C4)C3=O)O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2O1)SC)C(=C3C(=O)C4CCC(C4)C3=O)O

InChI

InChI=1S/C19H18O4S/c1-9-7-13-12(5-6-14(24-2)19(13)23-9)18(22)15-16(20)10-3-4-11(8-10)17(15)21/h5-7,10-11,22H,3-4,8H2,1-2H3