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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C13H11BrN2O4S MolecularWeight: 371.20644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O4S/c1-7(17)15-13-16-9(6-21-13)5-20-12(19)10-4-8(14)2-3-11(10)18/h2-4,6,18H,5H2,1H3,(H,15,16,17)