methyl 5-tert-butylsulfanyl-2-ethyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-tert-butylsulfanyl-2-ethyl-4-oxidanylidene-pentanoate Openeye Name: methyl 5-tert-butylsulfanyl-2-ethyl-4-oxo-pentanoate CAS Name: 5-(tert-butylthio)-2-ethyl-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-tert-butylsulfanyl-2-ethyl-4-oxopentanoate Traditional Name: 5-(tert-butylthio)-2-ethyl-4-keto-valeric acid methyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)CSC(C)(C)C)C(=O)OC

Isomeric SMILES

CCC(CC(=O)CSC(C)(C)C)C(=O)OC

InChI

InChI=1S/C12H22O3S/c1-6-9(11(14)15-5)7-10(13)8-16-12(2,3)4/h9H,6-8H2,1-5H3