butyl 3-isothiocyanato-3-methyl-butanoate

Systemtic Name: butyl 3-isothiocyanato-3-methyl-butanoate Openeye Name: butyl 3-isothiocyanato-3-methyl-butanoate CAS Name: 3-isothiocyanato-3-methylbutanoic acid butyl ester IUPAC Name: butyl 3-isothiocyanato-3-methylbutanoate Traditional Name: 3-isothiocyanato-3-methyl-butyric acid butyl ester Formula: C10H17NO2S MolecularWeight: 215.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C)(C)N=C=S

Isomeric SMILES

CCCCOC(=O)CC(C)(C)N=C=S

InChI

InChI=1S/C10H17NO2S/c1-4-5-6-13-9(12)7-10(2,3)11-8-14/h4-7H2,1-3H3