pentyl 2-thiocyanatopropanoate

Systemtic Name: pentyl 2-thiocyanatopropanoate Openeye Name: pentyl 2-thiocyanatopropanoate CAS Name: 2-thiocyanatopropanoic acid pentyl ester IUPAC Name: pentyl 2-thiocyanatopropanoate Traditional Name: 2-thiocyanatopropionic acid amyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC#N

Isomeric SMILES

CCCCCOC(=O)C(C)SC#N

InChI

InChI=1S/C9H15NO2S/c1-3-4-5-6-12-9(11)8(2)13-7-10/h8H,3-6H2,1-2H3