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

Systemtic Name: methyl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O4S/c1-19(2,26-13-7-5-12(20)6-8-13)17(24)22-18-21-14-9-4-11(16(23)25-3)10-15(14)27-18/h4-10H,1-3H3,(H,21,22,24)