2-isothiocyanato-1-methoxy-4-methyl-pentan-3-one

Systemtic Name: 2-isothiocyanato-1-methoxy-4-methyl-pentan-3-one Openeye Name: 2-isothiocyanato-1-methoxy-4-methyl-pentan-3-one CAS Name: 2-isothiocyanato-1-methoxy-4-methyl-3-pentanone IUPAC Name: 2-isothiocyanato-1-methoxy-4-methylpentan-3-one Traditional Name: 2-isothiocyanato-1-methoxy-4-methyl-pentan-3-one Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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