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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC(C)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC(C)C(=O)O

InChI

InChI=1S/C12H21NO3S/c1-9(17-10(2)12(15)16)11(14)13-7-5-3-4-6-8-13/h9-10H,3-8H2,1-2H3,(H,15,16)