ethyl 3-methyl-2-methylsulfanyl-2-(3-oxidanylidenepropyl)pentanoate

Systemtic Name: ethyl 3-methyl-2-methylsulfanyl-2-(3-oxidanylidenepropyl)pentanoate Openeye Name: ethyl 3-methyl-2-methylsulfanyl-2-(3-oxopropyl)pentanoate CAS Name: 3-methyl-2-(methylthio)-2-(3-oxopropyl)pentanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-methylsulfanyl-2-(3-oxopropyl)pentanoate Traditional Name: 2-(3-ketopropyl)-3-methyl-2-(methylthio)valeric acid ethyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC=O)(C(=O)OCC)SC

Isomeric SMILES

CCC(C)C(CCC=O)(C(=O)OCC)SC

InChI

InChI=1S/C12H22O3S/c1-5-10(3)12(16-4,8-7-9-13)11(14)15-6-2/h9-10H,5-8H2,1-4H3