[7-(1-benzothiophen-2-yl)-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)heptyl] ethanoate

Systemtic Name: [7-(1-benzothiophen-2-yl)-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)heptyl] ethanoate Openeye Name: [7-(benzothiophen-2-yl)-1-(2-hydroxy-5-oxo-2H-furan-3-yl)heptyl] acetate CAS Name: acetic acid [7-(1-benzothiophen-2-yl)-1-(2-hydroxy-5-oxo-2H-furan-3-yl)heptyl] ester IUPAC Name: [7-(1-benzothiophen-2-yl)-1-(2-hydroxy-5-oxo-2H-furan-3-yl)heptyl] acetate Traditional Name: acetic acid [7-(benzothiophen-2-yl)-1-(2-hydroxy-5-keto-2H-furan-3-yl)heptyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCC1=CC2=CC=CC=C2S1)C3=CC(=O)OC3O

Isomeric SMILES

CC(=O)OC(CCCCCCC1=CC2=CC=CC=C2S1)C3=CC(=O)OC3O

InChI

InChI=1S/C21H24O5S/c1-14(22)25-18(17-13-20(23)26-21(17)24)10-5-3-2-4-9-16-12-15-8-6-7-11-19(15)27-16/h6-8,11-13,18,21,24H,2-5,9-10H2,1H3