2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H21NO3S MolecularWeight: 271.37574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NCCC1=CCCCC1

Isomeric SMILES

CC(C(=O)O)SCC(=O)NCCC1=CCCCC1

InChI

InChI=1S/C13H21NO3S/c1-10(13(16)17)18-9-12(15)14-8-7-11-5-3-2-4-6-11/h5,10H,2-4,6-9H2,1H3,(H,14,15)(H,16,17)