methyl 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3,5-dibromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dibromo-2-methoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H12Br2N2O4S MolecularWeight: 500.16118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br)Br

InChI

InChI=1S/C17H12Br2N2O4S/c1-24-14-10(6-9(18)7-11(14)19)15(22)21-17-20-12-4-3-8(16(23)25-2)5-13(12)26-17/h3-7H,1-2H3,(H,20,21,22)