3-(1-cyclopentylsulfanyl-2-cyclopropyl-ethyl)-2-oxidanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-4-one

Systemtic Name: 3-(1-cyclopentylsulfanyl-2-cyclopropyl-ethyl)-2-oxidanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-4-one Openeye Name: 6-(1-benzylcyclopentyl)-3-(1-cyclopentylsulfanyl-2-cyclopropyl-ethyl)-2-hydroxy-pyran-4-one CAS Name: 3-[1-(cyclopentylthio)-2-cyclopropylethyl]-2-hydroxy-6-[1-(phenylmethyl)cyclopentyl]-4-pyranone IUPAC Name: 6-(1-benzylcyclopentyl)-3-(1-cyclopentylsulfanyl-2-cyclopropylethyl)-2-hydroxypyran-4-one Traditional Name: 6-(1-benzylcyclopentyl)-3-[1-(cyclopentylthio)-2-cyclopropyl-ethyl]-2-hydroxy-pyran-4-one Formula: C27H34O3S MolecularWeight: 438.62206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC(CC2CC2)C3=C(OC(=CC3=O)C4(CCCC4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)SC(CC2CC2)C3=C(OC(=CC3=O)C4(CCCC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C27H34O3S/c28-22-17-24(27(14-6-7-15-27)18-20-8-2-1-3-9-20)30-26(29)25(22)23(16-19-12-13-19)31-21-10-4-5-11-21/h1-3,8-9,17,19,21,23,29H,4-7,10-16,18H2