1,3-benzothiazol-2-ylmethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N4O4S3 MolecularWeight: 462.56562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O4S3/c1-11(2)17(19(24)27-10-16-20-12-6-3-4-8-14(12)28-16)23-30(25,26)15-9-5-7-13-18(15)22-29-21-13/h3-9,11,17,23H,10H2,1-2H3