ethyl 2-(2-bromanylhexanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-bromanylhexanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-bromo-1-oxohexyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C16H19BrN2O3S/c1-3-5-6-11(17)14(20)19-16-18-12-8-7-10(9-13(12)23-16)15(21)22-4-2/h7-9,11H,3-6H2,1-2H3,(H,18,19,20)