6-(1-phenethylcyclopentyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one

Systemtic Name: 6-(1-phenethylcyclopentyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one Openeye Name: 3-(2-isopropylphenyl)sulfanyl-6-(1-phenethylcyclopentyl)pyran-2-one CAS Name: 6-(1-phenethylcyclopentyl)-3-[(2-propan-2-ylphenyl)thio]-2-pyranone IUPAC Name: 6-(1-phenethylcyclopentyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 3-(o-cumenylthio)-6-(1-phenethylcyclopentyl)pyran-2-one Formula: C27H30O2S MolecularWeight: 418.5909

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=CC=C(OC2=O)C3(CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30O2S/c1-20(2)22-12-6-7-13-23(22)30-24-14-15-25(29-26(24)28)27(17-8-9-18-27)19-16-21-10-4-3-5-11-21/h3-7,10-15,20H,8-9,16-19H2,1-2H3