methyl 3-isothiocyanato-3-methyl-butanoate

Systemtic Name: methyl 3-isothiocyanato-3-methyl-butanoate Openeye Name: methyl 3-isothiocyanato-3-methyl-butanoate CAS Name: 3-isothiocyanato-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-isothiocyanato-3-methylbutanoate Traditional Name: 3-isothiocyanato-3-methyl-butyric acid methyl ester Formula: C7H11NO2S MolecularWeight: 173.23274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO2S/c1-7(2,8-5-11)4-6(9)10-3/h4H2,1-3H3