ethyl 2,2-diethyl-5-thiocyanato-pentanoate

Systemtic Name: ethyl 2,2-diethyl-5-thiocyanato-pentanoate Openeye Name: ethyl 2,2-diethyl-5-thiocyanato-pentanoate CAS Name: 2,2-diethyl-5-thiocyanatopentanoic acid ethyl ester IUPAC Name: ethyl 2,2-diethyl-5-thiocyanatopentanoate Traditional Name: 2,2-diethyl-5-thiocyanato-valeric acid ethyl ester Formula: C12H21NO2S MolecularWeight: 243.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCSC#N)C(=O)OCC

Isomeric SMILES

CCC(CC)(CCCSC#N)C(=O)OCC

InChI

InChI=1S/C12H21NO2S/c1-4-12(5-2,11(14)15-6-3)8-7-9-16-10-13/h4-9H2,1-3H3