(5-methyl-1,2-oxazol-3-yl)methyl 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[(5-bromo-2-pyridyl)sulfanyl]benzoate CAS Name: 2-[(5-bromo-2-pyridinyl)thio]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(5-bromopyridin-2-yl)sulfanylbenzoate Traditional Name: 2-[(5-bromo-2-pyridyl)thio]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SC3=NC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-11-8-13(20-23-11)10-22-17(21)14-4-2-3-5-15(14)24-16-7-6-12(18)9-19-16/h2-9H,10H2,1H3