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

Systemtic Name: 5-ethyl-2-[1-(oxan-2-yl)butan-2-yl]-6-oxidanyl-3-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 3-ethyl-2-hydroxy-6-[1-(tetrahydropyran-2-ylmethyl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 3-ethyl-2-hydroxy-6-[1-(2-oxanyl)butan-2-yl]-5-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 3-ethyl-2-hydroxy-6-[1-(oxan-2-yl)butan-2-yl]-5-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 3-ethyl-2-hydroxy-6-[1-(tetrahydropyran-2-ylmethyl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3CCCCO3)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3CCCCO3)O

InChI

InChI=1S/C22H30O4S/c1-4-15(13-16-9-6-7-11-25-16)21-19(14(3)18-10-8-12-27-18)20(23)17(5-2)22(24)26-21/h8,10,12,14-16,24H,4-7,9,11,13H2,1-3H3