ethyl 2,2-diethyl-4-thiocyanato-butanoate

Systemtic Name: ethyl 2,2-diethyl-4-thiocyanato-butanoate Openeye Name: ethyl 2,2-diethyl-4-thiocyanato-butanoate CAS Name: 2,2-diethyl-4-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 2,2-diethyl-4-thiocyanatobutanoate Traditional Name: 2,2-diethyl-4-thiocyanato-butyric acid ethyl ester Formula: C11H19NO2S MolecularWeight: 229.33906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO2S/c1-4-11(5-2,7-8-15-9-12)10(13)14-6-3/h4-8H2,1-3H3