methyl (2S,3S)-3-oxidanyl-2-thiocyanato-butanoate

Systemtic Name: methyl (2S,3S)-3-oxidanyl-2-thiocyanato-butanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2-thiocyanato-butanoate CAS Name: (2S,3S)-3-hydroxy-2-thiocyanatobutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-thiocyanatobutanoate Traditional Name: (2S,3S)-3-hydroxy-2-thiocyanato-butyric acid methyl ester Formula: C6H9NO3S MolecularWeight: 175.20556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)SC#N)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)OC)SC#N)O

InChI

InChI=1S/C6H9NO3S/c1-4(8)5(11-3-7)6(9)10-2/h4-5,8H,1-2H3/t4-,5-/m0/s1