3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[(4-isobutylmorpholin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[[4-(2-methylpropyl)-2-morpholinyl]methylthio]propanoic acid IUPAC Name: 3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[(4-isobutylmorpholin-2-yl)methylthio]propionic acid Formula: C12H23NO3S MolecularWeight: 261.38092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCOC(C1)CSCCC(=O)O

Isomeric SMILES

CC(C)CN1CCOC(C1)CSCCC(=O)O

InChI

InChI=1S/C12H23NO3S/c1-10(2)7-13-4-5-16-11(8-13)9-17-6-3-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)