[(2S)-hexan-2-yl] 3-methylsulfanylpropanoate

Systemtic Name: [(2S)-hexan-2-yl] 3-methylsulfanylpropanoate Openeye Name: [(1S)-1-methylpentyl] 3-methylsulfanylpropanoate CAS Name: 3-(methylthio)propanoic acid [(2S)-hexan-2-yl] ester IUPAC Name: [(2S)-hexan-2-yl] 3-methylsulfanylpropanoate Traditional Name: 3-(methylthio)propionic acid [(1S)-1-methylpentyl] ester Formula: C10H20O2S MolecularWeight: 204.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)CCSC

Isomeric SMILES

CCCC[C@H](C)OC(=O)CCSC

InChI

InChI=1S/C10H20O2S/c1-4-5-6-9(2)12-10(11)7-8-13-3/h9H,4-8H2,1-3H3/t9-/m0/s1