methyl 3-(cyanomethylsulfonyl)propanoate

Systemtic Name: methyl 3-(cyanomethylsulfonyl)propanoate Openeye Name: methyl 3-(cyanomethylsulfonyl)propanoate CAS Name: 3-(cyanomethylsulfonyl)propanoic acid methyl ester IUPAC Name: methyl 3-(cyanomethylsulfonyl)propanoate Traditional Name: 3-(cyanomethylsulfonyl)propionic acid methyl ester Formula: C6H9NO4S MolecularWeight: 191.20496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CC#N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CC#N

InChI

InChI=1S/C6H9NO4S/c1-11-6(8)2-4-12(9,10)5-3-7/h2,4-5H2,1H3