methyl 2-isothiocyanato-2,4-dimethyl-pentanoate

Systemtic Name: methyl 2-isothiocyanato-2,4-dimethyl-pentanoate Openeye Name: methyl 2-isothiocyanato-2,4-dimethyl-pentanoate CAS Name: 2-isothiocyanato-2,4-dimethylpentanoic acid methyl ester IUPAC Name: methyl 2-isothiocyanato-2,4-dimethylpentanoate Traditional Name: 2-isothiocyanato-2,4-dimethyl-valeric acid methyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2S/c1-7(2)5-9(3,10-6-13)8(11)12-4/h7H,5H2,1-4H3