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

Systemtic Name: methyl 2-[(2-bromanyl-2-methyl-propanoyl)amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-bromo-2-methyl-propanoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-bromo-2-methyl-1-oxopropyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-2-methylpropanoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-bromo-2-methyl-propanoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S/c1-13(2,14)11(18)16-12-15-8-5-4-7(10(17)19-3)6-9(8)20-12/h4-6H,1-3H3,(H,15,16,18)