(phenylmethyl) (4S)-2-(5-bromanylpyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) (4S)-2-(5-bromanylpyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: benzyl (4S)-2-(5-bromo-3-pyridyl)-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S)-2-(5-bromo-3-pyridinyl)-4,5-dihydrooxazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-(5-bromopyridin-3-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S)-2-(5-bromo-3-pyridyl)-2-oxazoline-4-carboxylic acid benzyl ester Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=CC(=CN=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](N=C(O1)C2=CC(=CN=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H13BrN2O3/c17-13-6-12(7-18-8-13)15-19-14(10-21-15)16(20)22-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2/t14-/m0/s1