2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]propionic acid Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)N1CCCCCC1

Isomeric SMILES

CC(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)