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

Systemtic Name: 3-ethyl-2-oxidanyl-6-[1-(oxolan-2-yl)butan-2-yl]-5-(1-thiophen-2-ylethyl)pyran-4-one Openeye Name: 3-ethyl-2-hydroxy-6-[1-(tetrahydrofuran-2-ylmethyl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one CAS Name: 3-ethyl-2-hydroxy-6-[1-(2-oxolanyl)butan-2-yl]-5-(1-thiophen-2-ylethyl)-4-pyranone IUPAC Name: 3-ethyl-2-hydroxy-6-[1-(oxolan-2-yl)butan-2-yl]-5-(1-thiophen-2-ylethyl)pyran-4-one Traditional Name: 3-ethyl-2-hydroxy-6-[1-(tetrahydrofurfuryl)propyl]-5-[1-(2-thienyl)ethyl]pyran-4-one Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3CCCO3)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3CCCO3)O

InChI

InChI=1S/C21H28O4S/c1-4-14(12-15-8-6-10-24-15)20-18(13(3)17-9-7-11-26-17)19(22)16(5-2)21(23)25-20/h7,9,11,13-15,23H,4-6,8,10,12H2,1-3H3