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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S/c1-3-8(14)11(17)16-13-15-9-5-4-7(12(18)19-2)6-10(9)20-13/h4-6,8H,3H2,1-2H3,(H,15,16,17)