methyl (2R)-4-(5-bromanylpyridin-3-yl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(5-bromanylpyridin-3-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(5-bromopyridine-3-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(5-bromo-3-pyridinyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(5-bromopyridine-3-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(5-bromonicotinoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C12H13BrN2O3S MolecularWeight: 345.21222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C12H13BrN2O3S/c1-18-12(17)10-7-15(2-3-19-10)11(16)8-4-9(13)6-14-5-8/h4-6,10H,2-3,7H2,1H3/t10-/m1/s1