ethyl 2,2-dimethyl-4-thiocyanato-butanoate

Systemtic Name: ethyl 2,2-dimethyl-4-thiocyanato-butanoate Openeye Name: ethyl 2,2-dimethyl-4-thiocyanato-butanoate CAS Name: 2,2-dimethyl-4-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-4-thiocyanatobutanoate Traditional Name: 2,2-dimethyl-4-thiocyanato-butyric acid ethyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCSC#N

Isomeric SMILES

CCOC(=O)C(C)(C)CCSC#N

InChI

InChI=1S/C9H15NO2S/c1-4-12-8(11)9(2,3)5-6-13-7-10/h4-6H2,1-3H3