methyl 3-(1-cyanobutan-2-ylsulfanyl)propanoate

Systemtic Name: methyl 3-(1-cyanobutan-2-ylsulfanyl)propanoate Openeye Name: methyl 3-[1-(cyanomethyl)propylsulfanyl]propanoate CAS Name: 3-(1-cyanobutan-2-ylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(1-cyanobutan-2-ylsulfanyl)propanoate Traditional Name: 3-[1-(cyanomethyl)propylthio]propionic acid methyl ester Formula: C9H15NO2S MolecularWeight: 201.2859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2S/c1-3-8(4-6-10)13-7-5-9(11)12-2/h8H,3-5,7H2,1-2H3