2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]propanoic acid IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]propionic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)O)SCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H11N3O3S/c1-7(11(16)17)18-6-14-10(15)8-4-2-3-5-9(8)12-13-14/h2-5,7H,6H2,1H3,(H,16,17)