ethyl 5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-ethanoyl-6-oxidanyl-7-propyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-acetyl-6-hydroxy-7-propyl-benzothiophene-2-carboxylate CAS Name: 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-6-hydroxy-7-propyl-1-benzothiophene-2-carboxylate Traditional Name: 5-acetyl-6-hydroxy-7-propyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)C(=O)C)C=C(S2)C(=O)OCC

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)C(=O)C)C=C(S2)C(=O)OCC

InChI

InChI=1S/C16H18O4S/c1-4-6-11-14(18)12(9(3)17)7-10-8-13(21-15(10)11)16(19)20-5-2/h7-8,18H,4-6H2,1-3H3