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

Systemtic Name: (2R,3R)-4-(2-methoxyethyl)-5-oxidanylidene-3-pyridin-4-yl-thiomorpholine-2-carboxylate Openeye Name: (2R,3R)-4-(2-methoxyethyl)-5-oxo-3-(4-pyridyl)thiomorpholine-2-carboxylate CAS Name: (2R,3R)-4-(2-methoxyethyl)-5-oxo-3-pyridin-4-yl-2-thiomorpholinecarboxylate IUPAC Name: (2R,3R)-4-(2-methoxyethyl)-5-oxo-3-pyridin-4-ylthiomorpholine-2-carboxylate Traditional Name: (2R,3R)-5-keto-4-(2-methoxyethyl)-3-(4-pyridyl)thiomorpholine-2-carboxylate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(SCC1=O)C(=O)[O-])C2=CC=NC=C2

Isomeric SMILES

COCCN1[C@@H]([C@@H](SCC1=O)C(=O)[O-])C2=CC=NC=C2

InChI

InChI=1S/C13H16N2O4S/c1-19-7-6-15-10(16)8-20-12(13(17)18)11(15)9-2-4-14-5-3-9/h2-5,11-12H,6-8H2,1H3,(H,17,18)/p-1/t11-,12-/m1/s1