2-[2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]thiazol-4-yl]acetate Formula: C13H12BrN2O4S- MolecularWeight: 372.21438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NC(=CS2)CC(=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NC(=CS2)CC(=O)[O-])Br)O

InChI

InChI=1S/C13H13BrN2O4S/c1-20-10-3-7(2-9(14)12(10)19)5-15-13-16-8(6-21-13)4-11(17)18/h2-3,6,19H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1