2-(2-oxidanylideneazepan-3-yl)sulfanylpropanoic acid

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)sulfanylpropanoic acid Openeye Name: 2-(2-oxoazepan-3-yl)sulfanylpropanoic acid CAS Name: 2-[(2-oxo-3-azepanyl)thio]propanoic acid IUPAC Name: 2-(2-oxoazepan-3-yl)sulfanylpropanoic acid Traditional Name: 2-[(2-ketoazepan-3-yl)thio]propionic acid Formula: C9H15NO3S MolecularWeight: 217.2853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1CCCCNC1=O

Isomeric SMILES

CC(C(=O)O)SC1CCCCNC1=O

InChI

InChI=1S/C9H15NO3S/c1-6(9(12)13)14-7-4-2-3-5-10-8(7)11/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)