(2R,3R)-5-oxidanylidene-4-propyl-3-pyridin-4-yl-thiomorpholine-2-carboxylic acid

Systemtic Name: (2R,3R)-5-oxidanylidene-4-propyl-3-pyridin-4-yl-thiomorpholine-2-carboxylic acid Openeye Name: (2R,3R)-5-oxo-4-propyl-3-(4-pyridyl)thiomorpholine-2-carboxylic acid CAS Name: (2R,3R)-5-oxo-4-propyl-3-pyridin-4-yl-2-thiomorpholinecarboxylic acid IUPAC Name: (2R,3R)-5-oxo-4-propyl-3-pyridin-4-ylthiomorpholine-2-carboxylic acid Traditional Name: (2R,3R)-5-keto-4-propyl-3-(4-pyridyl)thiomorpholine-2-carboxylic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(SCC1=O)C(=O)O)C2=CC=NC=C2

Isomeric SMILES

CCCN1[C@@H]([C@@H](SCC1=O)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H16N2O3S/c1-2-7-15-10(16)8-19-12(13(17)18)11(15)9-3-5-14-6-4-9/h3-6,11-12H,2,7-8H2,1H3,(H,17,18)/t11-,12-/m1/s1