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

Systemtic Name: 2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-4,5-dimethoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C14H14BrN2O4S- MolecularWeight: 386.24096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4S/c1-7-12(13(18)19)22-14(17-7)16-6-8-4-9(15)11(21-3)10(5-8)20-2/h4-5H,6H2,1-3H3,(H,16,17)(H,18,19)/p-1