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

Systemtic Name: methyl 2-(2-bromanylpentanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-bromopentanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-bromo-1-oxopentyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromopentanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-bromopentanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-3-4-9(15)12(18)17-14-16-10-6-5-8(13(19)20-2)7-11(10)21-14/h5-7,9H,3-4H2,1-2H3,(H,16,17,18)