butyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O4S/c1-4-5-12-28-19(26)14-6-11-17-18(13-14)30-21(24-17)25-20(27)22(2,3)29-16-9-7-15(23)8-10-16/h6-11,13H,4-5,12H2,1-3H3,(H,24,25,27)