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

Systemtic Name: 2-[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(3-bromo-4,5-dimethoxy-benzyl)amino]thiazol-4-yl]acetate Formula: C14H14BrN2O4S- MolecularWeight: 386.24096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4S/c1-20-11-4-8(3-10(15)13(11)21-2)6-16-14-17-9(7-22-14)5-12(18)19/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,18,19)/p-1