(2R,3R)-4-(2-methylpropyl)-5-oxidanylidene-3-pyridin-2-yl-thiomorpholine-2-carboxylate

Systemtic Name: (2R,3R)-4-(2-methylpropyl)-5-oxidanylidene-3-pyridin-2-yl-thiomorpholine-2-carboxylate Openeye Name: (2R,3R)-4-isobutyl-5-oxo-3-(2-pyridyl)thiomorpholine-2-carboxylate CAS Name: (2R,3R)-4-(2-methylpropyl)-5-oxo-3-(2-pyridinyl)-2-thiomorpholinecarboxylate IUPAC Name: (2R,3R)-4-(2-methylpropyl)-5-oxo-3-pyridin-2-ylthiomorpholine-2-carboxylate Traditional Name: (2R,3R)-4-isobutyl-5-keto-3-(2-pyridyl)thiomorpholine-2-carboxylate Formula: C14H17N2O3S- MolecularWeight: 293.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(SCC1=O)C(=O)[O-])C2=CC=CC=N2

Isomeric SMILES

CC(C)CN1[C@@H]([C@@H](SCC1=O)C(=O)[O-])C2=CC=CC=N2

InChI

InChI=1S/C14H18N2O3S/c1-9(2)7-16-11(17)8-20-13(14(18)19)12(16)10-5-3-4-6-15-10/h3-6,9,12-13H,7-8H2,1-2H3,(H,18,19)/p-1/t12-,13-/m1/s1