3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-2-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-2-one Openeye Name: 3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-2-one CAS Name: 3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-(1-phenethylcyclobutyl)-2-pyranone IUPAC Name: 3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-2-one Traditional Name: 3-[(2-isopropyl-5-methyl-phenyl)thio]-6-(1-phenethylcyclobutyl)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(CCC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=CC=C(OC2=O)C3(CCC3)CCC4=CC=CC=C4

InChI

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