3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-2-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-2-one Openeye Name: 6-(1-benzylcyclopentyl)-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-pyran-2-one CAS Name: 3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-[1-(phenylmethyl)cyclopentyl]-2-pyranone IUPAC Name: 6-(1-benzylcyclopentyl)-3-(5-methyl-2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 6-(1-benzylcyclopentyl)-3-[(2-isopropyl-5-methyl-phenyl)thio]pyran-2-one Formula: C27H30O2S MolecularWeight: 418.5909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30O2S/c1-19(2)22-12-11-20(3)17-24(22)30-23-13-14-25(29-26(23)28)27(15-7-8-16-27)18-21-9-5-4-6-10-21/h4-6,9-14,17,19H,7-8,15-16,18H2,1-3H3