5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-3-carboxylate

Systemtic Name: 5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-3-carboxylate Openeye Name: 5-acetyl-6-hydroxy-7-propyl-benzothiophene-3-carboxylate CAS Name: 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-3-carboxylate IUPAC Name: 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-3-carboxylate Traditional Name: 5-acetyl-6-hydroxy-7-propyl-benzothiophene-3-carboxylate Formula: C14H13O4S- MolecularWeight: 277.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=CS2)C(=O)[O-]

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=CS2)C(=O)[O-]

InChI

InChI=1S/C14H14O4S/c1-3-4-8-12(16)9(7(2)15)5-10-11(14(17)18)6-19-13(8)10/h5-6,16H,3-4H2,1-2H3,(H,17,18)/p-1