3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C12H21NO3S MolecularWeight: 259.36504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SCCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SCCC(=O)O

InChI

InChI=1S/C12H21NO3S/c1-10(17-9-6-11(14)15)12(16)13-7-4-2-3-5-8-13/h10H,2-9H2,1H3,(H,14,15)