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

Systemtic Name: (2R,3R)-4-(2-methylpropyl)-5-oxidanylidene-3-pyridin-3-yl-thiomorpholine-2-carboxylic acid Openeye Name: (2R,3R)-4-isobutyl-5-oxo-3-(3-pyridyl)thiomorpholine-2-carboxylic acid CAS Name: (2R,3R)-4-(2-methylpropyl)-5-oxo-3-(3-pyridinyl)-2-thiomorpholinecarboxylic acid IUPAC Name: (2R,3R)-4-(2-methylpropyl)-5-oxo-3-pyridin-3-ylthiomorpholine-2-carboxylic acid Traditional Name: (2R,3R)-4-isobutyl-5-keto-3-(3-pyridyl)thiomorpholine-2-carboxylic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(SCC1=O)C(=O)O)C2=CN=CC=C2

Isomeric SMILES

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

InChI

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