(2-acetamido-1,3-thiazol-4-yl)methyl 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-bromanyl-2-fluoranyl-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C13H10BrFN2O3S MolecularWeight: 373.197503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H10BrFN2O3S/c1-7(18)16-13-17-9(6-21-13)5-20-12(19)10-4-8(14)2-3-11(10)15/h2-4,6H,5H2,1H3,(H,16,17,18)