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

Systemtic Name: 2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C15H16BrN2O4S- MolecularWeight: 400.26754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC2=NC(=C(S2)C(=O)[O-])C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC2=NC(=C(S2)C(=O)[O-])C)OC

InChI

InChI=1S/C15H17BrN2O4S/c1-4-22-12-10(16)5-9(6-11(12)21-3)7-17-15-18-8(2)13(23-15)14(19)20/h5-6H,4,7H2,1-3H3,(H,17,18)(H,19,20)/p-1