methyl (2S)-2-isothiocyanato-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-isothiocyanato-4-methyl-pentanoate Openeye Name: methyl (2S)-2-isothiocyanato-4-methyl-pentanoate CAS Name: (2S)-2-isothiocyanato-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-isothiocyanato-4-methylpentanoate Traditional Name: (2S)-2-isothiocyanato-4-methyl-valeric acid methyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N=C=S

InChI

InChI=1S/C8H13NO2S/c1-6(2)4-7(9-5-12)8(10)11-3/h6-7H,4H2,1-3H3/t7-/m0/s1