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

Systemtic Name: 4-methylsulfanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoic acid Traditional Name: 2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4S/c1-9(13(20)16-12(15(22)23)7-8-24-2)19-14(21)10-5-3-4-6-11(10)17-18-19/h3-6,9,12H,7-8H2,1-2H3,(H,16,20)(H,22,23)