methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)-4-morpholino-benzoate CAS Name: 3-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(piazthiole-5-carbonylamino)benzoic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H18N4O4S/c1-26-19(25)13-3-5-17(23-6-8-27-9-7-23)16(11-13)20-18(24)12-2-4-14-15(10-12)22-28-21-14/h2-5,10-11H,6-9H2,1H3,(H,20,24)