ethyl 2-isothiocyanato-4-methyl-pentanoate

Systemtic Name: ethyl 2-isothiocyanato-4-methyl-pentanoate Openeye Name: ethyl 2-isothiocyanato-4-methyl-pentanoate CAS Name: 2-isothiocyanato-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-4-methylpentanoate Traditional Name: 2-isothiocyanato-4-methyl-valeric acid ethyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2S/c1-4-12-9(11)8(10-6-13)5-7(2)3/h7-8H,4-5H2,1-3H3