butyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-bromopyridine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromopyridine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrN3O3S/c1-2-3-6-25-17(24)11-4-5-14-15(8-11)26-18(21-14)22-16(23)12-7-13(19)10-20-9-12/h4-5,7-10H,2-3,6H2,1H3,(H,21,22,23)