3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-[1-(phenylmethyl)cyclopropyl]pyran-4-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-[1-(phenylmethyl)cyclopropyl]pyran-4-one Openeye Name: 6-(1-benzylcyclopropyl)-2-hydroxy-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-pyran-4-one CAS Name: 2-hydroxy-3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-[1-(phenylmethyl)cyclopropyl]-4-pyranone IUPAC Name: 6-(1-benzylcyclopropyl)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 6-(1-benzylcyclopropyl)-2-hydroxy-3-[(2-isopropyl-5-methyl-phenyl)thio]pyran-4-one Formula: C25H26O3S MolecularWeight: 406.53714

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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)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H26O3S/c1-16(2)19-10-9-17(3)13-21(19)29-23-20(26)14-22(28-24(23)27)25(11-12-25)15-18-7-5-4-6-8-18/h4-10,13-14,16,27H,11-12,15H2,1-3H3