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

Systemtic Name: 3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-oxidanyl-6-[1-(phenylmethyl)cyclobutyl]pyran-4-one Openeye Name: 6-(1-benzylcyclobutyl)-3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-hydroxy-pyran-4-one CAS Name: 3-[[(2-cyclopentylcyclopropyl)methylthio]methyl]-2-hydroxy-6-[1-(phenylmethyl)cyclobutyl]-4-pyranone IUPAC Name: 6-(1-benzylcyclobutyl)-3-[(2-cyclopentylcyclopropyl)methylsulfanylmethyl]-2-hydroxypyran-4-one Traditional Name: 6-(1-benzylcyclobutyl)-3-[[(2-cyclopentylcyclopropyl)methylthio]methyl]-2-hydroxy-pyran-4-one Formula: C26H32O3S MolecularWeight: 424.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2CC2CSCC3=C(OC(=CC3=O)C4(CCC4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C2CC2CSCC3=C(OC(=CC3=O)C4(CCC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C26H32O3S/c27-23-14-24(26(11-6-12-26)15-18-7-2-1-3-8-18)29-25(28)22(23)17-30-16-20-13-21(20)19-9-4-5-10-19/h1-3,7-8,14,19-21,28H,4-6,9-13,15-17H2