6-[[1-(oxan-4-ylmethyl)cyclopropyl]methyl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one

Systemtic Name: 6-[[1-(oxan-4-ylmethyl)cyclopropyl]methyl]-2-oxidanyl-3-(1-thiophen-2-ylpropyl)pyran-4-one Openeye Name: 2-hydroxy-6-[[1-(tetrahydropyran-4-ylmethyl)cyclopropyl]methyl]-3-[1-(2-thienyl)propyl]pyran-4-one CAS Name: 2-hydroxy-6-[[1-(4-oxanylmethyl)cyclopropyl]methyl]-3-(1-thiophen-2-ylpropyl)-4-pyranone IUPAC Name: 2-hydroxy-6-[[1-(oxan-4-ylmethyl)cyclopropyl]methyl]-3-(1-thiophen-2-ylpropyl)pyran-4-one Traditional Name: 2-hydroxy-6-[[1-(tetrahydropyran-4-ylmethyl)cyclopropyl]methyl]-3-[1-(2-thienyl)propyl]pyran-4-one Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)C2=C(OC(=CC2=O)CC3(CC3)CC4CCOCC4)O

Isomeric SMILES

CCC(C1=CC=CS1)C2=C(OC(=CC2=O)CC3(CC3)CC4CCOCC4)O

InChI

InChI=1S/C22H28O4S/c1-2-17(19-4-3-11-27-19)20-18(23)12-16(26-21(20)24)14-22(7-8-22)13-15-5-9-25-10-6-15/h3-4,11-12,15,17,24H,2,5-10,13-14H2,1H3