(3S)-3-(2-methylfuran-3-yl)sulfanylheptan-4-one

Systemtic Name: (3S)-3-(2-methylfuran-3-yl)sulfanylheptan-4-one Openeye Name: (3S)-3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one CAS Name: (3S)-3-[(2-methyl-3-furanyl)thio]-4-heptanone IUPAC Name: (3S)-3-(2-methylfuran-3-yl)sulfanylheptan-4-one Traditional Name: (3S)-3-[(2-methyl-3-furyl)thio]heptan-4-one Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)SC1=C(OC=C1)C

Isomeric SMILES

CCCC(=O)[C@H](CC)SC1=C(OC=C1)C

InChI

InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1