2-(1-ethanimidoylpiperidin-4-yl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(1-ethanimidoylpiperidin-4-yl)-3-sulfanyl-propanoic acid Openeye Name: 2-(1-ethanimidoyl-4-piperidyl)-3-sulfanyl-propanoic acid CAS Name: 2-[1-(1-iminoethyl)-4-piperidinyl]-3-mercaptopropanoic acid IUPAC Name: 2-(1-ethanimidoylpiperidin-4-yl)-3-sulfanylpropanoic acid Traditional Name: 2-(1-acetimidoyl-4-piperidyl)-3-mercapto-propionic acid Formula: C10H18N2O2S MolecularWeight: 230.32712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)C(CS)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)C(CS)C(=O)O

InChI

InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)