butyl 2-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H20Br2N2O4S MolecularWeight: 556.2675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3C)Br)Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3C)Br)Br

InChI

InChI=1S/C21H20Br2N2O4S/c1-3-4-7-28-20(27)13-5-6-16-17(9-13)30-21(24-16)25-18(26)11-29-19-12(2)8-14(22)10-15(19)23/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,24,25,26)