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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid (2-acetamidothiazol-4-yl)methyl ester Formula: C17H19N5O5S3 MolecularWeight: 469.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)NC(=O)C)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CSC(=N1)NC(=O)C)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H19N5O5S3/c1-9(2)14(16(24)27-7-11-8-28-17(19-11)18-10(3)23)22-30(25,26)13-6-4-5-12-15(13)21-29-20-12/h4-6,8-9,14,22H,7H2,1-3H3,(H,18,19,23)/t14-/m0/s1