2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O5S/c26-21-17-8-4-5-9-20(17)31(28,29)24(21)12-13-30-22(27)19-14-18(15-10-11-15)23-25(19)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2