(2S)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionate Formula: C11H18NO3S- MolecularWeight: 244.33052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)N1CCCCCC1

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)N1CCCCCC1

InChI

InChI=1S/C11H19NO3S/c1-9(11(14)15)16-8-10(13)12-6-4-2-3-5-7-12/h9H,2-8H2,1H3,(H,14,15)/p-1/t9-/m0/s1