(4-tert-butylphenyl) 1,2,3-benzothiadiazole-5-carboxylate

Systemtic Name: (4-tert-butylphenyl) 1,2,3-benzothiadiazole-5-carboxylate Openeye Name: (4-tert-butylphenyl) 1,2,3-benzothiadiazole-5-carboxylate CAS Name: 1,2,3-benzothiadiazole-5-carboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 1,2,3-benzothiadiazole-5-carboxylate Traditional Name: 1,2,3-benzothiadiazole-5-carboxylic acid (4-tert-butylphenyl) ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SN=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)SN=N3

InChI

InChI=1S/C17H16N2O2S/c1-17(2,3)12-5-7-13(8-6-12)21-16(20)11-4-9-15-14(10-11)18-19-22-15/h4-10H,1-3H3