ethyl 5-isothiocyanatopentanoate

Systemtic Name: ethyl 5-isothiocyanatopentanoate Openeye Name: ethyl 5-isothiocyanatopentanoate CAS Name: 5-isothiocyanatopentanoic acid ethyl ester IUPAC Name: ethyl 5-isothiocyanatopentanoate Traditional Name: 5-isothiocyanatovaleric acid ethyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN=C=S

Isomeric SMILES

CCOC(=O)CCCCN=C=S

InChI

InChI=1S/C8H13NO2S/c1-2-11-8(10)5-3-4-6-9-7-12/h2-6H2,1H3