methyl 2-(4-oxidanylideneheptan-3-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-(4-oxidanylideneheptan-3-ylsulfanyl)ethanoate Openeye Name: methyl 2-(1-ethyl-2-oxo-pentyl)sulfanylacetate CAS Name: 2-(4-oxoheptan-3-ylthio)acetic acid methyl ester IUPAC Name: methyl 2-(4-oxoheptan-3-ylsulfanyl)acetate Traditional Name: 2-[(1-ethyl-2-keto-pentyl)thio]acetic acid methyl ester Formula: C10H18O3S MolecularWeight: 218.31312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)SCC(=O)OC

Isomeric SMILES

CCCC(=O)C(CC)SCC(=O)OC

InChI

InChI=1S/C10H18O3S/c1-4-6-8(11)9(5-2)14-7-10(12)13-3/h9H,4-7H2,1-3H3