3-ethanoyl-6,6-dimethyl-2-oxidanyl-5,7-dihydro-1H-[1]benzothiolo[2,3-b]pyridine-4,8-dione

Systemtic Name: 3-ethanoyl-6,6-dimethyl-2-oxidanyl-5,7-dihydro-1H-[1]benzothiolo[2,3-b]pyridine-4,8-dione Openeye Name: 3-acetyl-2-hydroxy-6,6-dimethyl-5,7-dihydro-1H-benzothiopheno[2,3-b]pyridine-4,8-dione CAS Name: 3-acetyl-2-hydroxy-6,6-dimethyl-5,7-dihydro-1H-[1]benzothiolo[2,3-b]pyridine-4,8-dione IUPAC Name: 3-acetyl-2-hydroxy-6,6-dimethyl-5,7-dihydro-1H-[1]benzothiolo[2,3-b]pyridine-4,8-dione Traditional Name: 3-acetyl-2-hydroxy-6,6-dimethyl-5,7-dihydro-1H-benzothiopheno[2,3-b]pyridine-4,8-quinone Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC2=C(C1=O)C3=C(S2)C(=O)CC(C3)(C)C)O

Isomeric SMILES

CC(=O)C1=C(NC2=C(C1=O)C3=C(S2)C(=O)CC(C3)(C)C)O

InChI

InChI=1S/C15H15NO4S/c1-6(17)9-11(19)10-7-4-15(2,3)5-8(18)12(7)21-14(10)16-13(9)20/h4-5H2,1-3H3,(H2,16,19,20)