(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H20N4O4S3 MolecularWeight: 488.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H20N4O4S3/c1-13(2)18(25-32(27,28)17-10-6-9-16-19(17)24-31-23-16)21(26)29-11-15-12-30-20(22-15)14-7-4-3-5-8-14/h3-10,12-13,18,25H,11H2,1-2H3