methyl 2-(1-cyanobutan-2-ylsulfanyl)ethanoate

Systemtic Name: methyl 2-(1-cyanobutan-2-ylsulfanyl)ethanoate Openeye Name: methyl 2-[1-(cyanomethyl)propylsulfanyl]acetate CAS Name: 2-(1-cyanobutan-2-ylthio)acetic acid methyl ester IUPAC Name: methyl 2-(1-cyanobutan-2-ylsulfanyl)acetate Traditional Name: 2-[1-(cyanomethyl)propylthio]acetic acid methyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SCC(=O)OC

Isomeric SMILES

CCC(CC#N)SCC(=O)OC

InChI

InChI=1S/C8H13NO2S/c1-3-7(4-5-9)12-6-8(10)11-2/h7H,3-4,6H2,1-2H3