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

Systemtic Name: 2-[2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]thiazol-4-yl]acetic acid Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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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)