6-methyl-4-[4-(2-methylphenoxy)but-2-ynylsulfanyl]pyran-2-one

Systemtic Name: 6-methyl-4-[4-(2-methylphenoxy)but-2-ynylsulfanyl]pyran-2-one Openeye Name: 6-methyl-4-[4-(2-methylphenoxy)but-2-ynylsulfanyl]pyran-2-one CAS Name: 6-methyl-4-[4-(2-methylphenoxy)but-2-ynylthio]-2-pyranone IUPAC Name: 6-methyl-4-[4-(2-methylphenoxy)but-2-ynylsulfanyl]pyran-2-one Traditional Name: 6-methyl-4-[4-(2-methylphenoxy)but-2-ynylthio]pyran-2-one Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC#CCSC2=CC(=O)OC(=C2)C

Isomeric SMILES

CC1=CC=CC=C1OCC#CCSC2=CC(=O)OC(=C2)C

InChI

InChI=1S/C17H16O3S/c1-13-7-3-4-8-16(13)19-9-5-6-10-21-15-11-14(2)20-17(18)12-15/h3-4,7-8,11-12H,9-10H2,1-2H3