propyl 2-isothiocyanatoethanoate

Systemtic Name: propyl 2-isothiocyanatoethanoate Openeye Name: propyl 2-isothiocyanatoacetate CAS Name: 2-isothiocyanatoacetic acid propyl ester IUPAC Name: propyl 2-isothiocyanatoacetate Traditional Name: 2-isothiocyanatoacetic acid propyl ester Formula: C6H9NO2S MolecularWeight: 159.20616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CN=C=S

Isomeric SMILES

CCCOC(=O)CN=C=S

InChI

InChI=1S/C6H9NO2S/c1-2-3-9-6(8)4-7-5-10/h2-4H2,1H3