ethyl 5-butanoyl-3-methyl-4,7-bis(oxidanyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-butanoyl-3-methyl-4,7-bis(oxidanyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-butanoyl-4,7-dihydroxy-3-methyl-benzothiophene-2-carboxylate CAS Name: 4,7-dihydroxy-3-methyl-5-(1-oxobutyl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butanoyl-4,7-dihydroxy-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 5-butyryl-4,7-dihydroxy-3-methyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C2C(=C1O)C(=C(S2)C(=O)OCC)C)O

Isomeric SMILES

CCCC(=O)C1=CC(=C2C(=C1O)C(=C(S2)C(=O)OCC)C)O

InChI

InChI=1S/C16H18O5S/c1-4-6-10(17)9-7-11(18)15-12(13(9)19)8(3)14(22-15)16(20)21-5-2/h7,18-19H,4-6H2,1-3H3