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

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoic acid Traditional Name: 2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)-4-(methylthio)butanoyl]amino]butyric acid Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S/c1-3-11(16(23)24)17-14(21)13(8-9-25-2)20-15(22)10-6-4-5-7-12(10)18-19-20/h4-7,11,13H,3,8-9H2,1-2H3,(H,17,21)(H,23,24)