2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C13H12BrN2O4S- MolecularWeight: 372.21438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC(=C(C(=C2)Br)O)OC)C(=O)[O-]

InChI

InChI=1S/C13H13BrN2O4S/c1-6-11(12(18)19)21-13(16-6)15-5-7-3-8(14)10(17)9(4-7)20-2/h3-4,17H,5H2,1-2H3,(H,15,16)(H,18,19)/p-1