3-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(3-methylpiperidino)ethyl]thio]propionic acid Formula: C11H19NO3S MolecularWeight: 245.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSCCC(=O)O

Isomeric SMILES

CC1CCCN(C1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C11H19NO3S/c1-9-3-2-5-12(7-9)10(13)8-16-6-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)