6-[1-(oxan-4-yl)butan-2-yl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one

Systemtic Name: 6-[1-(oxan-4-yl)butan-2-yl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one Openeye Name: 2-hydroxy-6-[1-(tetrahydropyran-4-ylmethyl)propyl]-3-[1-(2-thienyl)propyl]pyran-4-one CAS Name: 2-hydroxy-6-[1-(4-oxanyl)butan-2-yl]-3-(1-thiophen-2-ylpropyl)-4-pyranone IUPAC Name: 2-hydroxy-6-[1-(oxan-4-yl)butan-2-yl]-3-(1-thiophen-2-ylpropyl)pyran-4-one Traditional Name: 2-hydroxy-6-[1-(tetrahydropyran-4-ylmethyl)propyl]-3-[1-(2-thienyl)propyl]pyran-4-one Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCOCC1)C2=CC(=O)C(=C(O2)O)C(CC)C3=CC=CS3

Isomeric SMILES

CCC(CC1CCOCC1)C2=CC(=O)C(=C(O2)O)C(CC)C3=CC=CS3

InChI

InChI=1S/C21H28O4S/c1-3-15(12-14-7-9-24-10-8-14)18-13-17(22)20(21(23)25-18)16(4-2)19-6-5-11-26-19/h5-6,11,13-16,23H,3-4,7-10,12H2,1-2H3