3-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylpropanoic acid Openeye Name: 3-[4-(diethylamino)-4-oxo-butyl]sulfanylpropanoic acid CAS Name: 3-[[4-(diethylamino)-4-oxobutyl]thio]propanoic acid IUPAC Name: 3-[4-(diethylamino)-4-oxobutyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(diethylamino)-4-keto-butyl]thio]propionic acid Formula: C11H21NO3S MolecularWeight: 247.35434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSCCC(=O)O

Isomeric SMILES

CCN(CC)C(=O)CCCSCCC(=O)O

InChI

InChI=1S/C11H21NO3S/c1-3-12(4-2)10(13)6-5-8-16-9-7-11(14)15/h3-9H2,1-2H3,(H,14,15)