methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)adamantane-1-carboxylate

Systemtic Name: methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylamino)adamantane-1-carboxylate Openeye Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)adamantane-1-carboxylate CAS Name: 3-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylamino)adamantane-1-carboxylate Traditional Name: 3-(piazthiole-5-carbonylamino)adamantane-1-carboxylic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C19H21N3O3S/c1-25-17(24)18-6-11-4-12(7-18)9-19(8-11,10-18)20-16(23)13-2-3-14-15(5-13)22-26-21-14/h2-3,5,11-12H,4,6-10H2,1H3,(H,20,23)