3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-oxidanyl-6-[1-(phenylmethyl)cyclopropyl]pyran-4-one

Systemtic Name: 3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-oxidanyl-6-[1-(phenylmethyl)cyclopropyl]pyran-4-one Openeye Name: 6-(1-benzylcyclopropyl)-3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-hydroxy-pyran-4-one CAS Name: 3-[[(2-cyclopentylcyclopropyl)methylthio]methyl]-2-hydroxy-6-[1-(phenylmethyl)cyclopropyl]-4-pyranone IUPAC Name: 6-(1-benzylcyclopropyl)-3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-hydroxypyran-4-one Traditional Name: 6-(1-benzylcyclopropyl)-3-[[(2-cyclopentylcyclopropyl)methylthio]methyl]-2-hydroxy-pyran-4-one Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2CC2CSCC3=C(OC(=CC3=O)C4(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C2CC2CSCC3=C(OC(=CC3=O)C4(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H30O3S/c26-22-13-23(25(10-11-25)14-17-6-2-1-3-7-17)28-24(27)21(22)16-29-15-19-12-20(19)18-8-4-5-9-18/h1-3,6-7,13,18-20,27H,4-5,8-12,14-16H2