2-(thiocyanatomethyl)butyl ethanoate

Systemtic Name: 2-(thiocyanatomethyl)butyl ethanoate Openeye Name: 2-(thiocyanatomethyl)butyl acetate CAS Name: acetic acid 2-(thiocyanatomethyl)butyl ester IUPAC Name: 2-(thiocyanatomethyl)butyl acetate Traditional Name: acetic acid 2-(thiocyanatomethyl)butyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)CSC#N

Isomeric SMILES

CCC(COC(=O)C)CSC#N

InChI

InChI=1S/C8H13NO2S/c1-3-8(5-12-6-9)4-11-7(2)10/h8H,3-5H2,1-2H3