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

Systemtic Name: methyl 2-(2-bromanylhexanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-bromo-1-oxohexyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-bromohexanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-3-4-5-10(16)13(19)18-15-17-11-7-6-9(14(20)21-2)8-12(11)22-15/h6-8,10H,3-5H2,1-2H3,(H,17,18,19)