ethyl 4-isothiocyanatobutanoate

Systemtic Name: ethyl 4-isothiocyanatobutanoate Openeye Name: ethyl 4-isothiocyanatobutanoate CAS Name: 4-isothiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 4-isothiocyanatobutanoate Traditional Name: 4-isothiocyanatobutyric acid ethyl ester Formula: C7H11NO2S MolecularWeight: 173.23274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN=C=S

Isomeric SMILES

CCOC(=O)CCCN=C=S

InChI

InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3