3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-(1-phenethylcyclopropyl)pyran-4-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-(1-phenethylcyclopropyl)pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-(1-phenethylcyclopropyl)pyran-4-one CAS Name: 2-hydroxy-3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-(1-phenethylcyclopropyl)-4-pyranone IUPAC Name: 2-hydroxy-3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-(1-phenethylcyclopropyl)pyran-4-one Traditional Name: 2-hydroxy-3-[(2-isopropyl-5-methyl-phenyl)thio]-6-(1-phenethylcyclopropyl)pyran-4-one Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3(CC3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3(CC3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C26H28O3S/c1-17(2)20-10-9-18(3)15-22(20)30-24-21(27)16-23(29-25(24)28)26(13-14-26)12-11-19-7-5-4-6-8-19/h4-10,15-17,28H,11-14H2,1-3H3