2-methyl-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxy)pyran-4-one

Systemtic Name: 2-methyl-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxy)pyran-4-one Openeye Name: 2-methyl-5-(4-methylsulfanylphenyl)-3-tetrahydropyran-2-yloxy-pyran-4-one CAS Name: 2-methyl-5-[4-(methylthio)phenyl]-3-(2-oxanyloxy)-4-pyranone IUPAC Name: 2-methyl-5-(4-methylsulfanylphenyl)-3-(oxan-2-yloxy)pyran-4-one Traditional Name: 2-methyl-5-[4-(methylthio)phenyl]-3-tetrahydropyran-2-yloxy-pyran-4-one Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CO1)C2=CC=C(C=C2)SC)OC3CCCCO3

Isomeric SMILES

CC1=C(C(=O)C(=CO1)C2=CC=C(C=C2)SC)OC3CCCCO3

InChI

InChI=1S/C18H20O4S/c1-12-18(22-16-5-3-4-10-20-16)17(19)15(11-21-12)13-6-8-14(23-2)9-7-13/h6-9,11,16H,3-5,10H2,1-2H3