3-(2,1,3-benzothiadiazol-4-ylamino)-2-methyl-propanoic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylamino)-2-methyl-propanoic acid Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylamino)-2-methyl-propanoic acid CAS Name: 3-(2,1,3-benzothiadiazol-4-ylamino)-2-methylpropanoic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylamino)-2-methylpropanoic acid Traditional Name: 2-methyl-3-(piazthiol-4-ylamino)propionic acid Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=CC2=NSN=C21)C(=O)O

Isomeric SMILES

CC(CNC1=CC=CC2=NSN=C21)C(=O)O

InChI

InChI=1S/C10H11N3O2S/c1-6(10(14)15)5-11-7-3-2-4-8-9(7)13-16-12-8/h2-4,6,11H,5H2,1H3,(H,14,15)